(5-fluoro-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine

C13H10F4N2O — CID 115804926

IUPAC(5-fluoro-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESNC(c1ccc(OC(F)(F)F)cc1)c1cncc(F)c1
InChIInChI=1S/C13H10F4N2O/c14-10-5-9(6-19-7-10)12(18)8-1-3-11(4-2-8)20-13(15,16)17/h1-7,12H,18H2
InChIKeyAIQLEZSILMJOGR-UHFFFAOYSA-N
MW286.23 g/mol
LogP3.17
Rot. Bonds3

About (5-fluoro-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine

(5-fluoro-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 115804926) has the molecular formula C13H10F4N2O and a molecular weight of 286.23 g/mol. Its IUPAC name is (5-fluoro-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(5-fluoro-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID115804926
Molecular FormulaC13H10F4N2O
Molecular Weight286.23 g/mol
Exact Mass286.07
IUPAC Name(5-fluoro-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine
SMILESNC(c1ccc(OC(F)(F)F)cc1)c1cncc(F)c1
InChIInChI=1S/C13H10F4N2O/c14-10-5-9(6-19-7-10)12(18)8-1-3-11(4-2-8)20-13(15,16)17/h1-7,12H,18H2
InChIKeyAIQLEZSILMJOGR-UHFFFAOYSA-N
XLogP3.17
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171245927
(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine
CID 171246372
(3-fluoro-5-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 105016494
(5-fluoro-3-pyridinyl)-(4-propoxyphenyl)methanamine
CID 105144279
(3,4-dichlorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 116628508
(S)-(2-bromo-5-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240548
(S)-[4-(trifluoromethoxy)phenyl]-(4-trimethylsilyloxyphenyl)methanamine
CID 171242116
3-fluoro-5-(trifluoromethoxy)pyridine
CID 91532712
(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240272
(R)-(4-propan-2-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171239714
(R)-(2,3,5,6-tetrafluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171249914
5-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]benzene-1,3-diol;hydrochloride
CID 171239519

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (5-fluoro-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine (CID 115804926) is (5-fluoro-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (5-fluoro-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (5-fluoro-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine is NC(c1ccc(OC(F)(F)F)cc1)c1cncc(F)c1.
What is the InChIKey of (5-fluoro-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is AIQLEZSILMJOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N2O/c14-10-5-9(6-19-7-10)12(18)8-1-3-11(4-2-8)20-13(15,16)17/h1-7,12H,18H2.
What are the key properties of (5-fluoro-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine?
(5-fluoro-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 286.23 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 115804926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).