(2S)-2-(4-fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine

C14H12F4N2 — CID 129409501

IUPAC(2S)-2-(4-fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine
SMILESNC[C@@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H12F4N2/c15-11-4-1-9(2-5-11)12(7-19)10-3-6-13(20-8-10)14(16,17)18/h1-6,8,12H,7,19H2/t12-/m0/s1
InChIKeyHIFAECYAJZMISZ-LBPRGKRZSA-N
MW284.26 g/mol
LogP3.33
Rot. Bonds3

About (2S)-2-(4-fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine

(2S)-2-(4-fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine (PubChem CID 129409501) has the molecular formula C14H12F4N2 and a molecular weight of 284.26 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine
PubChem CID129409501
Molecular FormulaC14H12F4N2
Molecular Weight284.26 g/mol
Exact Mass284.09
IUPAC Name(2S)-2-(4-fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine
SMILESNC[C@@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H12F4N2/c15-11-4-1-9(2-5-11)12(7-19)10-3-6-13(20-8-10)14(16,17)18/h1-6,8,12H,7,19H2/t12-/m0/s1
InChIKeyHIFAECYAJZMISZ-LBPRGKRZSA-N
XLogP3.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-fluorophenyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
CID 129409507
5-(1-phenylpropyl)-2-(trifluoromethyl)pyridine
CID 142219929
[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]azanium
CID 164715814
5-(1-iodoethyl)-2-(trifluoromethyl)pyridine
CID 142294771
5-[(2S)-butan-2-yl]-2-(trifluoromethyl)pyridine
CID 66695263
(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-amine
CID 130664334
2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 58228272
2-(4-fluorophenyl)-2-(4-methoxyphenyl)ethanamine
CID 82023270
3-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol;ethane
CID 145489922
2-(4-fluorophenyl)-2-pyridin-2-ylethanamine
CID 82040232
[6-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]methanamine
CID 176908126
1-[6-(trifluoromethyl)-3-pyridinyl]ethylhydrazine;hydrochloride
CID 137356558

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine?
The IUPAC name of (2S)-2-(4-fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine (CID 129409501) is (2S)-2-(4-fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine is NC[C@@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine?
The InChIKey is HIFAECYAJZMISZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H12F4N2/c15-11-4-1-9(2-5-11)12(7-19)10-3-6-13(20-8-10)14(16,17)18/h1-6,8,12H,7,19H2/t12-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine?
(2S)-2-(4-fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine has a molecular weight of 284.26 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 129409501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).