2-(difluoromethyl)-3-fluoro-4-propan-2-ylpyridine

C9H10F3N — CID 139525099

IUPAC2-(difluoromethyl)-3-fluoro-4-propan-2-ylpyridine
SMILESCC(C)c1ccnc(C(F)F)c1F
InChIInChI=1S/C9H10F3N/c1-5(2)6-3-4-13-8(7(6)10)9(11)12/h3-5,9H,1-2H3
InChIKeyGYUORYBWECDWDT-UHFFFAOYSA-N
MW189.18 g/mol
LogP3.28
Rot. Bonds2

About 2-(difluoromethyl)-3-fluoro-4-propan-2-ylpyridine

2-(difluoromethyl)-3-fluoro-4-propan-2-ylpyridine (PubChem CID 139525099) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-fluoro-4-propan-2-ylpyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-3-fluoro-4-propan-2-ylpyridine
PubChem CID139525099
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name2-(difluoromethyl)-3-fluoro-4-propan-2-ylpyridine
SMILESCC(C)c1ccnc(C(F)F)c1F
InChIInChI=1S/C9H10F3N/c1-5(2)6-3-4-13-8(7(6)10)9(11)12/h3-5,9H,1-2H3
InChIKeyGYUORYBWECDWDT-UHFFFAOYSA-N
XLogP3.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-fluoro-4-propan-2-ylpyridine?
The IUPAC name of 2-(difluoromethyl)-3-fluoro-4-propan-2-ylpyridine (CID 139525099) is 2-(difluoromethyl)-3-fluoro-4-propan-2-ylpyridine.
What is the SMILES notation for 2-(difluoromethyl)-3-fluoro-4-propan-2-ylpyridine?
The canonical SMILES for 2-(difluoromethyl)-3-fluoro-4-propan-2-ylpyridine is CC(C)c1ccnc(C(F)F)c1F.
What is the InChIKey of 2-(difluoromethyl)-3-fluoro-4-propan-2-ylpyridine?
The InChIKey is GYUORYBWECDWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N/c1-5(2)6-3-4-13-8(7(6)10)9(11)12/h3-5,9H,1-2H3.
What are the key properties of 2-(difluoromethyl)-3-fluoro-4-propan-2-ylpyridine?
2-(difluoromethyl)-3-fluoro-4-propan-2-ylpyridine has a molecular weight of 189.18 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-fluoro-4-propan-2-ylpyridine is sourced from PubChem (CID 139525099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).