(S)-(3-fluoro-2-pyridinyl)-[2-fluoro-4-(trifluoromethoxy)phenyl]methanamine

C13H9F5N2O — CID 71165379

IUPAC(S)-(3-fluoro-2-pyridinyl)-[2-fluoro-4-(trifluoromethoxy)phenyl]methanamine
SMILESN[C@@H](c1ccc(OC(F)(F)F)cc1F)c1ncccc1F
InChIInChI=1S/C13H9F5N2O/c14-9-2-1-5-20-12(9)11(19)8-4-3-7(6-10(8)15)21-13(16,17)18/h1-6,11H,19H2/t11-/m0/s1
InChIKeyJSPACVAIGWFXKD-NSHDSACASA-N
MW304.22 g/mol
LogP3.31
Rot. Bonds3

About (S)-(3-fluoro-2-pyridinyl)-[2-fluoro-4-(trifluoromethoxy)phenyl]methanamine

(S)-(3-fluoro-2-pyridinyl)-[2-fluoro-4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 71165379) has the molecular formula C13H9F5N2O and a molecular weight of 304.22 g/mol. Its IUPAC name is (S)-(3-fluoro-2-pyridinyl)-[2-fluoro-4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(S)-(3-fluoro-2-pyridinyl)-[2-fluoro-4-(trifluoromethoxy)phenyl]methanamine
PubChem CID71165379
Molecular FormulaC13H9F5N2O
Molecular Weight304.22 g/mol
Exact Mass304.06
IUPAC Name(S)-(3-fluoro-2-pyridinyl)-[2-fluoro-4-(trifluoromethoxy)phenyl]methanamine
SMILESN[C@@H](c1ccc(OC(F)(F)F)cc1F)c1ncccc1F
InChIInChI=1S/C13H9F5N2O/c14-9-2-1-5-20-12(9)11(19)8-4-3-7(6-10(8)15)21-13(16,17)18/h1-6,11H,19H2/t11-/m0/s1
InChIKeyJSPACVAIGWFXKD-NSHDSACASA-N
XLogP3.31
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239584
(3-fluoro-2-pyridinyl)-(4-methoxyphenyl)methanamine
CID 78018909
(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanamine
CID 103395513
(S)-(3-fluoro-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 71144280
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluorophenol
CID 171245952
(R)-[2-fluoro-4-(trifluoromethyl)phenyl]-[4-(trifluoromethoxy)phenyl]methanamine
CID 171248862
(1S)-2,2,2-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine
CID 171251766
(1R)-3,3,3-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-amine
CID 171216239
4-amino-1-[2-fluoro-4-(trifluoromethoxy)phenyl]butane-1,2-diol
CID 171882137
(1S)-2,2-difluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171251769
(S)-(4-chloro-3-fluorophenyl)-(3-fluoro-2-pyridinyl)methanamine
CID 71165432
1-(3-fluoro-2-pyridinyl)-4-[4-(trifluoromethoxy)phenyl]pyrazol-5-amine
CID 135171328

Frequently Asked Questions

What is the IUPAC name of (S)-(3-fluoro-2-pyridinyl)-[2-fluoro-4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (S)-(3-fluoro-2-pyridinyl)-[2-fluoro-4-(trifluoromethoxy)phenyl]methanamine (CID 71165379) is (S)-(3-fluoro-2-pyridinyl)-[2-fluoro-4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (S)-(3-fluoro-2-pyridinyl)-[2-fluoro-4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (S)-(3-fluoro-2-pyridinyl)-[2-fluoro-4-(trifluoromethoxy)phenyl]methanamine is N[C@@H](c1ccc(OC(F)(F)F)cc1F)c1ncccc1F.
What is the InChIKey of (S)-(3-fluoro-2-pyridinyl)-[2-fluoro-4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is JSPACVAIGWFXKD-NSHDSACASA-N. The full InChI is InChI=1S/C13H9F5N2O/c14-9-2-1-5-20-12(9)11(19)8-4-3-7(6-10(8)15)21-13(16,17)18/h1-6,11H,19H2/t11-/m0/s1.
What are the key properties of (S)-(3-fluoro-2-pyridinyl)-[2-fluoro-4-(trifluoromethoxy)phenyl]methanamine?
(S)-(3-fluoro-2-pyridinyl)-[2-fluoro-4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 304.22 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-fluoro-2-pyridinyl)-[2-fluoro-4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 71165379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).