2-(2-chloro-1,1,1-trifluoropropan-2-yl)pyridine

C8H7ClF3N — CID 146396997

IUPAC2-(2-chloro-1,1,1-trifluoropropan-2-yl)pyridine
SMILESCC(Cl)(c1ccccn1)C(F)(F)F
InChIInChI=1S/C8H7ClF3N/c1-7(9,8(10,11)12)6-4-2-3-5-13-6/h2-5H,1H3
InChIKeySCPMJFPAPNAPCU-UHFFFAOYSA-N
MW209.60 g/mol
LogP3.10
Rot. Bonds1

About 2-(2-chloro-1,1,1-trifluoropropan-2-yl)pyridine

2-(2-chloro-1,1,1-trifluoropropan-2-yl)pyridine (PubChem CID 146396997) has the molecular formula C8H7ClF3N and a molecular weight of 209.60 g/mol. Its IUPAC name is 2-(2-chloro-1,1,1-trifluoropropan-2-yl)pyridine.

Molecular Properties

Compound Name2-(2-chloro-1,1,1-trifluoropropan-2-yl)pyridine
PubChem CID146396997
Molecular FormulaC8H7ClF3N
Molecular Weight209.60 g/mol
Exact Mass209.02
IUPAC Name2-(2-chloro-1,1,1-trifluoropropan-2-yl)pyridine
SMILESCC(Cl)(c1ccccn1)C(F)(F)F
InChIInChI=1S/C8H7ClF3N/c1-7(9,8(10,11)12)6-4-2-3-5-13-6/h2-5H,1H3
InChIKeySCPMJFPAPNAPCU-UHFFFAOYSA-N
XLogP3.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.60
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-1,1,1-trifluoropropan-2-yl)pyridine?
The IUPAC name of 2-(2-chloro-1,1,1-trifluoropropan-2-yl)pyridine (CID 146396997) is 2-(2-chloro-1,1,1-trifluoropropan-2-yl)pyridine.
What is the SMILES notation for 2-(2-chloro-1,1,1-trifluoropropan-2-yl)pyridine?
The canonical SMILES for 2-(2-chloro-1,1,1-trifluoropropan-2-yl)pyridine is CC(Cl)(c1ccccn1)C(F)(F)F.
What is the InChIKey of 2-(2-chloro-1,1,1-trifluoropropan-2-yl)pyridine?
The InChIKey is SCPMJFPAPNAPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N/c1-7(9,8(10,11)12)6-4-2-3-5-13-6/h2-5H,1H3.
What are the key properties of 2-(2-chloro-1,1,1-trifluoropropan-2-yl)pyridine?
2-(2-chloro-1,1,1-trifluoropropan-2-yl)pyridine has a molecular weight of 209.60 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-1,1,1-trifluoropropan-2-yl)pyridine is sourced from PubChem (CID 146396997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).