methyl thiohypofluorite;1-pyrazin-2-ylethanamine;N-[(1R)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1-pyrazin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid

C97H77F13N12O9S — CID 161221161

IUPACmethyl thiohypofluorite;1-pyrazin-2-ylethanamine;N-[(1R)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1-pyrazin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
SMILESCC(N)c1cnccn1.CC(NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cnccn1.CSF.C[C@@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cnccn1.C[C@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cnccn1.O=C(O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/3C24H18F3N3O2.C18H11F3O3.C6H9N3.CH3FS/c3*1-15(21-14-28-11-12-29-21)30-23(31)17-5-10-20-16(13-17)3-2-4-22(20)32-19-8-6-18(7-9-19)24(25,26)27;19-18(20,21)13-5-7-14(8-6-13)24-16-3-1-2-11-10-12(17(22)23)4-9-15(11)16;1-5(7)6-4-8-2-3-9-6;1-3-2/h3*2-15H,1H3,(H,30,31);1-10H,(H,22,23);2-5H,7H2,1H3;1H3/t2*15-;;;;/m10..../s1
InChIKeyUXNIKWNJHJQYDG-SDQYGQRDSA-N
MW1833.80 g/mol
LogP24.88
Rot. Bonds19

About methyl thiohypofluorite;1-pyrazin-2-ylethanamine;N-[(1R)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1-pyrazin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid

methyl thiohypofluorite;1-pyrazin-2-ylethanamine;N-[(1R)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1-pyrazin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid (PubChem CID 161221161) has the molecular formula C97H77F13N12O9S and a molecular weight of 1833.80 g/mol. Its IUPAC name is methyl thiohypofluorite;1-pyrazin-2-ylethanamine;N-[(1R)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1-pyrazin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Namemethyl thiohypofluorite;1-pyrazin-2-ylethanamine;N-[(1R)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1-pyrazin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
PubChem CID161221161
Molecular FormulaC97H77F13N12O9S
Molecular Weight1833.80 g/mol
Exact Mass1832.54
IUPAC Namemethyl thiohypofluorite;1-pyrazin-2-ylethanamine;N-[(1R)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1-pyrazin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
SMILESCC(N)c1cnccn1.CC(NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cnccn1.CSF.C[C@@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cnccn1.C[C@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cnccn1.O=C(O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/3C24H18F3N3O2.C18H11F3O3.C6H9N3.CH3FS/c3*1-15(21-14-28-11-12-29-21)30-23(31)17-5-10-20-16(13-17)3-2-4-22(20)32-19-8-6-18(7-9-19)24(25,26)27;19-18(20,21)13-5-7-14(8-6-13)24-16-3-1-2-11-10-12(17(22)23)4-9-15(11)16;1-5(7)6-4-8-2-3-9-6;1-3-2/h3*2-15H,1H3,(H,30,31);1-10H,(H,22,23);2-5H,7H2,1H3;1H3/t2*15-;;;;/m10..../s1
InChIKeyUXNIKWNJHJQYDG-SDQYGQRDSA-N
XLogP24.88
TPSA290.66 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds19
Heavy Atoms132
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001833.80
LogP ≤ 524.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze methyl thiohypofluorite;1-pyrazin-2-ylethanamine;N-[(1R)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1-pyrazin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl thiohypofluorite;1-pyrazin-2-ylethanamine;N-[(1R)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1-pyrazin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid?
The IUPAC name of methyl thiohypofluorite;1-pyrazin-2-ylethanamine;N-[(1R)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1-pyrazin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid (CID 161221161) is methyl thiohypofluorite;1-pyrazin-2-ylethanamine;N-[(1R)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1-pyrazin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid.
What is the SMILES notation for methyl thiohypofluorite;1-pyrazin-2-ylethanamine;N-[(1R)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1-pyrazin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid?
The canonical SMILES for methyl thiohypofluorite;1-pyrazin-2-ylethanamine;N-[(1R)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1-pyrazin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid is CC(N)c1cnccn1.CC(NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cnccn1.CSF.C[C@@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cnccn1.C[C@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cnccn1.O=C(O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.
What is the InChIKey of methyl thiohypofluorite;1-pyrazin-2-ylethanamine;N-[(1R)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1-pyrazin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid?
The InChIKey is UXNIKWNJHJQYDG-SDQYGQRDSA-N. The full InChI is InChI=1S/3C24H18F3N3O2.C18H11F3O3.C6H9N3.CH3FS/c3*1-15(21-14-28-11-12-29-21)30-23(31)17-5-10-20-16(13-17)3-2-4-22(20)32-19-8-6-18(7-9-19)24(25,26)27;19-18(20,21)13-5-7-14(8-6-13)24-16-3-1-2-11-10-12(17(22)23)4-9-15(11)16;1-5(7)6-4-8-2-3-9-6;1-3-2/h3*2-15H,1H3,(H,30,31);1-10H,(H,22,23);2-5H,7H2,1H3;1H3/t2*15-;;;;/m10..../s1.
What are the key properties of methyl thiohypofluorite;1-pyrazin-2-ylethanamine;N-[(1R)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1-pyrazin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid?
methyl thiohypofluorite;1-pyrazin-2-ylethanamine;N-[(1R)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1-pyrazin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid has a molecular weight of 1833.80 g/mol, XLogP of 24.88, 19 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for methyl thiohypofluorite;1-pyrazin-2-ylethanamine;N-[(1R)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-pyrazin-2-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1-pyrazin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid is sourced from PubChem (CID 161221161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).