(2S)-3-fluoro-2-(trifluoromethyl)-2,5-dihydropyridine

C6H5F4N — CID 91526473

IUPAC(2S)-3-fluoro-2-(trifluoromethyl)-2,5-dihydropyridine
SMILESFC1=CCC=N[C@@H]1C(F)(F)F
InChIInChI=1S/C6H5F4N/c7-4-2-1-3-11-5(4)6(8,9)10/h2-3,5H,1H2/t5-/m0/s1
InChIKeyPICMTTNMSFQRRB-YFKPBYRVSA-N
MW167.10 g/mol
LogP2.25
Rot. Bonds

About (2S)-3-fluoro-2-(trifluoromethyl)-2,5-dihydropyridine

(2S)-3-fluoro-2-(trifluoromethyl)-2,5-dihydropyridine (PubChem CID 91526473) has the molecular formula C6H5F4N and a molecular weight of 167.10 g/mol. Its IUPAC name is (2S)-3-fluoro-2-(trifluoromethyl)-2,5-dihydropyridine.

Molecular Properties

Compound Name(2S)-3-fluoro-2-(trifluoromethyl)-2,5-dihydropyridine
PubChem CID91526473
Molecular FormulaC6H5F4N
Molecular Weight167.10 g/mol
Exact Mass167.04
IUPAC Name(2S)-3-fluoro-2-(trifluoromethyl)-2,5-dihydropyridine
SMILESFC1=CCC=N[C@@H]1C(F)(F)F
InChIInChI=1S/C6H5F4N/c7-4-2-1-3-11-5(4)6(8,9)10/h2-3,5H,1H2/t5-/m0/s1
InChIKeyPICMTTNMSFQRRB-YFKPBYRVSA-N
XLogP2.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.10
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(trifluoromethyl)-2H-pyrrole
CID 67621404
5-Methyl-2-(trifluoromethyl)-2,5-dihydropyridine
CID 90934958
4-(Trifluoromethyl)-2,5-dihydropyridine
CID 91046941
(2S)-2-fluoro-2,5-dihydropyridine
CID 91143792
(2S)-2-(trifluoromethyl)-2,5-dihydropyridine
CID 91580648
5-Fluoro-2,5-dihydropyridine
CID 173305258
3-Fluoro-2,5-dihydropyridine
CID 178037828
2-(Trifluoromethyl)-2,3-dihydropyridine
CID 162546551

Frequently Asked Questions

What is the IUPAC name of (2S)-3-fluoro-2-(trifluoromethyl)-2,5-dihydropyridine?
The IUPAC name of (2S)-3-fluoro-2-(trifluoromethyl)-2,5-dihydropyridine (CID 91526473) is (2S)-3-fluoro-2-(trifluoromethyl)-2,5-dihydropyridine.
What is the SMILES notation for (2S)-3-fluoro-2-(trifluoromethyl)-2,5-dihydropyridine?
The canonical SMILES for (2S)-3-fluoro-2-(trifluoromethyl)-2,5-dihydropyridine is FC1=CCC=N[C@@H]1C(F)(F)F.
What is the InChIKey of (2S)-3-fluoro-2-(trifluoromethyl)-2,5-dihydropyridine?
The InChIKey is PICMTTNMSFQRRB-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H5F4N/c7-4-2-1-3-11-5(4)6(8,9)10/h2-3,5H,1H2/t5-/m0/s1.
What are the key properties of (2S)-3-fluoro-2-(trifluoromethyl)-2,5-dihydropyridine?
(2S)-3-fluoro-2-(trifluoromethyl)-2,5-dihydropyridine has a molecular weight of 167.10 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-fluoro-2-(trifluoromethyl)-2,5-dihydropyridine is sourced from PubChem (CID 91526473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).