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

C6H5F4N — CID 166104278

IUPAC2-fluoro-5-(trifluoromethyl)-3,4-dihydropyridine
SMILESFC1=NC=C(C(F)(F)F)CC1
InChIInChI=1S/C6H5F4N/c7-5-2-1-4(3-11-5)6(8,9)10/h3H,1-2H2
InChIKeyVSYWJIOVKLFRAA-UHFFFAOYSA-N
MW167.11 g/mol
LogP2.59
Rot. Bonds

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

2-fluoro-5-(trifluoromethyl)-3,4-dihydropyridine (PubChem CID 166104278) has the molecular formula C6H5F4N and a molecular weight of 167.11 g/mol. Its IUPAC name is 2-fluoro-5-(trifluoromethyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name2-fluoro-5-(trifluoromethyl)-3,4-dihydropyridine
PubChem CID166104278
Molecular FormulaC6H5F4N
Molecular Weight167.11 g/mol
Exact Mass167.04
IUPAC Name2-fluoro-5-(trifluoromethyl)-3,4-dihydropyridine
SMILESFC1=NC=C(C(F)(F)F)CC1
InChIInChI=1S/C6H5F4N/c7-5-2-1-4(3-11-5)6(8,9)10/h3H,1-2H2
InChIKeyVSYWJIOVKLFRAA-UHFFFAOYSA-N
XLogP2.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.11
LogP ≤ 52.59
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
2,3-Difluoro-5-(trifluoromethyl)-3,4-dihydropyridine
CID 163714678
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-fluoro-5-(trifluoromethyl)-3,4-dihydropyridine?
The IUPAC name of 2-fluoro-5-(trifluoromethyl)-3,4-dihydropyridine (CID 166104278) is 2-fluoro-5-(trifluoromethyl)-3,4-dihydropyridine.
What is the SMILES notation for 2-fluoro-5-(trifluoromethyl)-3,4-dihydropyridine?
The canonical SMILES for 2-fluoro-5-(trifluoromethyl)-3,4-dihydropyridine is FC1=NC=C(C(F)(F)F)CC1.
What is the InChIKey of 2-fluoro-5-(trifluoromethyl)-3,4-dihydropyridine?
The InChIKey is VSYWJIOVKLFRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F4N/c7-5-2-1-4(3-11-5)6(8,9)10/h3H,1-2H2.
What are the key properties of 2-fluoro-5-(trifluoromethyl)-3,4-dihydropyridine?
2-fluoro-5-(trifluoromethyl)-3,4-dihydropyridine has a molecular weight of 167.11 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(trifluoromethyl)-3,4-dihydropyridine is sourced from PubChem (CID 166104278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).