2,3-difluoro-5-(trifluoromethyl)-3,4-dihydropyridine

C6H4F5N — CID 163714678

IUPAC2,3-difluoro-5-(trifluoromethyl)-3,4-dihydropyridine
SMILESFC1=NC=C(C(F)(F)F)CC1F
InChIInChI=1S/C6H4F5N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h2,4H,1H2
InChIKeyKMHRUFWRSYINCW-UHFFFAOYSA-N
MW185.10 g/mol
LogP2.54
Rot. Bonds

About 2,3-difluoro-5-(trifluoromethyl)-3,4-dihydropyridine

2,3-difluoro-5-(trifluoromethyl)-3,4-dihydropyridine (PubChem CID 163714678) has the molecular formula C6H4F5N and a molecular weight of 185.10 g/mol. Its IUPAC name is 2,3-difluoro-5-(trifluoromethyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name2,3-difluoro-5-(trifluoromethyl)-3,4-dihydropyridine
PubChem CID163714678
Molecular FormulaC6H4F5N
Molecular Weight185.10 g/mol
Exact Mass185.03
IUPAC Name2,3-difluoro-5-(trifluoromethyl)-3,4-dihydropyridine
SMILESFC1=NC=C(C(F)(F)F)CC1F
InChIInChI=1S/C6H4F5N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h2,4H,1H2
InChIKeyKMHRUFWRSYINCW-UHFFFAOYSA-N
XLogP2.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.10
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(Trifluoromethyl)-3,4-dihydropyridine
CID 57162541
5-Methyl-2-(trifluoromethyl)-3,4-dihydropyridine
CID 68046822
2-Methyl-5-(trifluoromethyl)-3,4-dihydropyridine
CID 142966293
2-Fluoro-5-methyl-3,4-dihydropyridine
CID 143657713
2-Bromo-3-fluoro-5-(trifluoromethyl)-3,4-dihydropyridine
CID 147818514
2-(Difluoromethyl)-5-methyl-3,4-dihydropyridine
CID 156046916
2-Fluoro-5-(trifluoromethyl)-3,4-dihydropyridine
CID 166104278
3-methyl-5-(trifluoromethyl)-4H-pyridine
CID 162540702
4-methyl-2-(trifluoromethyl)-3H-pyridine
CID 162540741

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-(trifluoromethyl)-3,4-dihydropyridine?
The IUPAC name of 2,3-difluoro-5-(trifluoromethyl)-3,4-dihydropyridine (CID 163714678) is 2,3-difluoro-5-(trifluoromethyl)-3,4-dihydropyridine.
What is the SMILES notation for 2,3-difluoro-5-(trifluoromethyl)-3,4-dihydropyridine?
The canonical SMILES for 2,3-difluoro-5-(trifluoromethyl)-3,4-dihydropyridine is FC1=NC=C(C(F)(F)F)CC1F.
What is the InChIKey of 2,3-difluoro-5-(trifluoromethyl)-3,4-dihydropyridine?
The InChIKey is KMHRUFWRSYINCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F5N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h2,4H,1H2.
What are the key properties of 2,3-difluoro-5-(trifluoromethyl)-3,4-dihydropyridine?
2,3-difluoro-5-(trifluoromethyl)-3,4-dihydropyridine has a molecular weight of 185.10 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5-(trifluoromethyl)-3,4-dihydropyridine is sourced from PubChem (CID 163714678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).