[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine

C13H10F4N2 — CID 118008047

IUPAC[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine
SMILESNCc1cc(F)cc(-c2ccc(C(F)(F)F)nc2)c1
InChIInChI=1S/C13H10F4N2/c14-11-4-8(6-18)3-10(5-11)9-1-2-12(19-7-9)13(15,16)17/h1-5,7H,6,18H2
InChIKeyASNFBEMNFKVHRY-UHFFFAOYSA-N
MW270.23 g/mol
LogP3.37
Rot. Bonds2

About [3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine

[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine (PubChem CID 118008047) has the molecular formula C13H10F4N2 and a molecular weight of 270.23 g/mol. Its IUPAC name is [3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine
PubChem CID118008047
Molecular FormulaC13H10F4N2
Molecular Weight270.23 g/mol
Exact Mass270.08
IUPAC Name[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine
SMILESNCc1cc(F)cc(-c2ccc(C(F)(F)F)nc2)c1
InChIInChI=1S/C13H10F4N2/c14-11-4-8(6-18)3-10(5-11)9-1-2-12(19-7-9)13(15,16)17/h1-5,7H,6,18H2
InChIKeyASNFBEMNFKVHRY-UHFFFAOYSA-N
XLogP3.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-fluoro-5-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]methanamine
CID 144826575
[2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methanamine
CID 118222664
5-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)pyridine
CID 134637957
5-[6-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine
CID 72859012
[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]methanamine
CID 176908126
[3-fluoro-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]methanamine
CID 170765642
5-pyridin-4-yl-2-(trifluoromethyl)pyridine
CID 46316298
1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one
CID 159613368
[3-fluoro-5-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine
CID 172840672
2,3-difluoropyridine;methane;[6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 159348275
2-fluoro-6-isocyano-4-[6-(trifluoromethyl)-3-pyridinyl]pyridine
CID 140733553
4-(aminomethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 141441781

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine?
The IUPAC name of [3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine (CID 118008047) is [3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine?
The canonical SMILES for [3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine is NCc1cc(F)cc(-c2ccc(C(F)(F)F)nc2)c1.
What is the InChIKey of [3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine?
The InChIKey is ASNFBEMNFKVHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N2/c14-11-4-8(6-18)3-10(5-11)9-1-2-12(19-7-9)13(15,16)17/h1-5,7H,6,18H2.
What are the key properties of [3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine?
[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine has a molecular weight of 270.23 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine is sourced from PubChem (CID 118008047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).