2-[difluoro(phenyl)methyl]-6-(fluoromethyl)pyridine

C13H10F3N — CID 58106943

IUPAC2-[difluoro(phenyl)methyl]-6-(fluoromethyl)pyridine
SMILESFCc1cccc(C(F)(F)c2ccccc2)n1
InChIInChI=1S/C13H10F3N/c14-9-11-7-4-8-12(17-11)13(15,16)10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyZIKHVXRDQGDANT-UHFFFAOYSA-N
MW237.22 g/mol
LogP3.69
Rot. Bonds3

About 2-[difluoro(phenyl)methyl]-6-(fluoromethyl)pyridine

2-[difluoro(phenyl)methyl]-6-(fluoromethyl)pyridine (PubChem CID 58106943) has the molecular formula C13H10F3N and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-[difluoro(phenyl)methyl]-6-(fluoromethyl)pyridine.

Molecular Properties

Compound Name2-[difluoro(phenyl)methyl]-6-(fluoromethyl)pyridine
PubChem CID58106943
Molecular FormulaC13H10F3N
Molecular Weight237.22 g/mol
Exact Mass237.08
IUPAC Name2-[difluoro(phenyl)methyl]-6-(fluoromethyl)pyridine
SMILESFCc1cccc(C(F)(F)c2ccccc2)n1
InChIInChI=1S/C13H10F3N/c14-9-11-7-4-8-12(17-11)13(15,16)10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyZIKHVXRDQGDANT-UHFFFAOYSA-N
XLogP3.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(fluoromethyl)-6-(2-pyridin-3-ylpropan-2-yl)pyridine
CID 58106779
5-[2-[6-(fluoromethyl)-2-pyridinyl]propan-2-yl]pyrimidine
CID 58106995
2-(fluoromethyl)-6-phenylpyridine
CID 58240037
2-[6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 53401513
2-[6-(fluoromethyl)-2-pyridinyl]acetic acid
CID 84765522
2,6-bis(fluoromethyl)pyridine;formamide
CID 174876959
4-[difluoro(phenyl)methyl]-1,3-thiazole
CID 173034987
6-(fluoromethyl)pyridine-2-carboxylic acid;iridium
CID 58621414
trifluoromethylbenzene;dihydrochloride
CID 171928889
phosphane;trifluoromethylbenzene
CID 175486194
1-[6-(fluoromethyl)-2-pyridinyl]-N-methylmethanamine
CID 84763498
2-butyl-6-(trifluoromethyl)pyridine
CID 126570654

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(phenyl)methyl]-6-(fluoromethyl)pyridine?
The IUPAC name of 2-[difluoro(phenyl)methyl]-6-(fluoromethyl)pyridine (CID 58106943) is 2-[difluoro(phenyl)methyl]-6-(fluoromethyl)pyridine.
What is the SMILES notation for 2-[difluoro(phenyl)methyl]-6-(fluoromethyl)pyridine?
The canonical SMILES for 2-[difluoro(phenyl)methyl]-6-(fluoromethyl)pyridine is FCc1cccc(C(F)(F)c2ccccc2)n1.
What is the InChIKey of 2-[difluoro(phenyl)methyl]-6-(fluoromethyl)pyridine?
The InChIKey is ZIKHVXRDQGDANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N/c14-9-11-7-4-8-12(17-11)13(15,16)10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 2-[difluoro(phenyl)methyl]-6-(fluoromethyl)pyridine?
2-[difluoro(phenyl)methyl]-6-(fluoromethyl)pyridine has a molecular weight of 237.22 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(phenyl)methyl]-6-(fluoromethyl)pyridine is sourced from PubChem (CID 58106943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).