N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]-4-(trifluoromethyl)benzamide

C20H10F10N2O — CID 134850048

IUPACN-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)c2cccnc12)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H10F10N2O/c21-17(19(25,26)27,20(28,29)30)13-7-8-14(15-12(13)2-1-9-31-15)32-16(33)10-3-5-11(6-4-10)18(22,23)24/h1-9H,(H,32,33)
InChIKeyAYVLXGKPQXHKIP-UHFFFAOYSA-N
MW484.29 g/mol
LogP6.80
Rot. Bonds3

About N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]-4-(trifluoromethyl)benzamide

N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]-4-(trifluoromethyl)benzamide (PubChem CID 134850048) has the molecular formula C20H10F10N2O and a molecular weight of 484.29 g/mol. Its IUPAC name is N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]-4-(trifluoromethyl)benzamide
PubChem CID134850048
Molecular FormulaC20H10F10N2O
Molecular Weight484.29 g/mol
Exact Mass484.06
IUPAC NameN-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)c2cccnc12)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H10F10N2O/c21-17(19(25,26)27,20(28,29)30)13-7-8-14(15-12(13)2-1-9-31-15)32-16(33)10-3-5-11(6-4-10)18(22,23)24/h1-9H,(H,32,33)
InChIKeyAYVLXGKPQXHKIP-UHFFFAOYSA-N
XLogP6.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.29
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]-4-(trifluoromethyl)benzamide (CID 134850048) is N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]-4-(trifluoromethyl)benzamide is O=C(Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)c2cccnc12)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is AYVLXGKPQXHKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F10N2O/c21-17(19(25,26)27,20(28,29)30)13-7-8-14(15-12(13)2-1-9-31-15)32-16(33)10-3-5-11(6-4-10)18(22,23)24/h1-9H,(H,32,33).
What are the key properties of N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]-4-(trifluoromethyl)benzamide?
N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 484.29 g/mol, XLogP of 6.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)quinolin-8-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 134850048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).