N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyloxan-4-amine;2,2,2-trifluoroacetic acid

C17H20F4N2O3 — CID 154886958

IUPACN-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyloxan-4-amine;2,2,2-trifluoroacetic acid
SMILESCN(Cc1cc2cc(F)ccc2[nH]1)C1CCOCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H19FN2O.C2HF3O2/c1-18(14-4-6-19-7-5-14)10-13-9-11-8-12(16)2-3-15(11)17-13;3-2(4,5)1(6)7/h2-3,8-9,14,17H,4-7,10H2,1H3;(H,6,7)
InChIKeyCASHERQIAWKFBW-UHFFFAOYSA-N
MW376.35 g/mol
LogP3.55
Rot. Bonds3

About N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyloxan-4-amine;2,2,2-trifluoroacetic acid

N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyloxan-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 154886958) has the molecular formula C17H20F4N2O3 and a molecular weight of 376.35 g/mol. Its IUPAC name is N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyloxan-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyloxan-4-amine;2,2,2-trifluoroacetic acid
PubChem CID154886958
Molecular FormulaC17H20F4N2O3
Molecular Weight376.35 g/mol
Exact Mass376.14
IUPAC NameN-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyloxan-4-amine;2,2,2-trifluoroacetic acid
SMILESCN(Cc1cc2cc(F)ccc2[nH]1)C1CCOCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H19FN2O.C2HF3O2/c1-18(14-4-6-19-7-5-14)10-13-9-11-8-12(16)2-3-15(11)17-13;3-2(4,5)1(6)7/h2-3,8-9,14,17H,4-7,10H2,1H3;(H,6,7)
InChIKeyCASHERQIAWKFBW-UHFFFAOYSA-N
XLogP3.55
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyloxan-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyloxan-4-amine;2,2,2-trifluoroacetic acid (CID 154886958) is N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyloxan-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyloxan-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyloxan-4-amine;2,2,2-trifluoroacetic acid is CN(Cc1cc2cc(F)ccc2[nH]1)C1CCOCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyloxan-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is CASHERQIAWKFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O.C2HF3O2/c1-18(14-4-6-19-7-5-14)10-13-9-11-8-12(16)2-3-15(11)17-13;3-2(4,5)1(6)7/h2-3,8-9,14,17H,4-7,10H2,1H3;(H,6,7).
What are the key properties of N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyloxan-4-amine;2,2,2-trifluoroacetic acid?
N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyloxan-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 376.35 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyloxan-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154886958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).