1-(2,2-difluoroethyl)-5-methyl-2-methylidenepyridine

C9H11F2N — CID 157476004

IUPAC1-(2,2-difluoroethyl)-5-methyl-2-methylidenepyridine
SMILESC=C1C=CC(C)=CN1CC(F)F
InChIInChI=1S/C9H11F2N/c1-7-3-4-8(2)12(5-7)6-9(10)11/h3-5,9H,2,6H2,1H3
InChIKeyQWPBYKRKWFKURE-UHFFFAOYSA-N
MW171.19 g/mol
LogP2.54
Rot. Bonds2

About 1-(2,2-difluoroethyl)-5-methyl-2-methylidenepyridine

1-(2,2-difluoroethyl)-5-methyl-2-methylidenepyridine (PubChem CID 157476004) has the molecular formula C9H11F2N and a molecular weight of 171.19 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-5-methyl-2-methylidenepyridine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-5-methyl-2-methylidenepyridine
PubChem CID157476004
Molecular FormulaC9H11F2N
Molecular Weight171.19 g/mol
Exact Mass171.09
IUPAC Name1-(2,2-difluoroethyl)-5-methyl-2-methylidenepyridine
SMILESC=C1C=CC(C)=CN1CC(F)F
InChIInChI=1S/C9H11F2N/c1-7-3-4-8(2)12(5-7)6-9(10)11/h3-5,9H,2,6H2,1H3
InChIKeyQWPBYKRKWFKURE-UHFFFAOYSA-N
XLogP2.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-5-methyl-2-methylidenepyridine?
The IUPAC name of 1-(2,2-difluoroethyl)-5-methyl-2-methylidenepyridine (CID 157476004) is 1-(2,2-difluoroethyl)-5-methyl-2-methylidenepyridine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-5-methyl-2-methylidenepyridine?
The canonical SMILES for 1-(2,2-difluoroethyl)-5-methyl-2-methylidenepyridine is C=C1C=CC(C)=CN1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-5-methyl-2-methylidenepyridine?
The InChIKey is QWPBYKRKWFKURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N/c1-7-3-4-8(2)12(5-7)6-9(10)11/h3-5,9H,2,6H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-5-methyl-2-methylidenepyridine?
1-(2,2-difluoroethyl)-5-methyl-2-methylidenepyridine has a molecular weight of 171.19 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-5-methyl-2-methylidenepyridine is sourced from PubChem (CID 157476004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).