3-chloro-1,1,1,3-tetrafluoropropan-2-one

C3HClF4O — CID 11240675

IUPAC3-chloro-1,1,1,3-tetrafluoropropan-2-one
SMILESO=C(C(F)Cl)C(F)(F)F
InChIInChI=1S/C3HClF4O/c4-2(5)1(9)3(6,7)8/h2H
InChIKeyWOZVJXPRDKSTSX-UHFFFAOYSA-N
MW164.49 g/mol
LogP1.65
Rot. Bonds1

About 3-chloro-1,1,1,3-tetrafluoropropan-2-one

3-chloro-1,1,1,3-tetrafluoropropan-2-one (PubChem CID 11240675) has the molecular formula C3HClF4O and a molecular weight of 164.49 g/mol. Its IUPAC name is 3-chloro-1,1,1,3-tetrafluoropropan-2-one.

Molecular Properties

Compound Name3-chloro-1,1,1,3-tetrafluoropropan-2-one
PubChem CID11240675
Molecular FormulaC3HClF4O
Molecular Weight164.49 g/mol
Exact Mass163.97
IUPAC Name3-chloro-1,1,1,3-tetrafluoropropan-2-one
SMILESO=C(C(F)Cl)C(F)(F)F
InChIInChI=1S/C3HClF4O/c4-2(5)1(9)3(6,7)8/h2H
InChIKeyWOZVJXPRDKSTSX-UHFFFAOYSA-N
XLogP1.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.49
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-chloro-1,1,1,3-tetrafluoropropan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,1,1,3-tetrafluoropropan-2-one?
The IUPAC name of 3-chloro-1,1,1,3-tetrafluoropropan-2-one (CID 11240675) is 3-chloro-1,1,1,3-tetrafluoropropan-2-one.
What is the SMILES notation for 3-chloro-1,1,1,3-tetrafluoropropan-2-one?
The canonical SMILES for 3-chloro-1,1,1,3-tetrafluoropropan-2-one is O=C(C(F)Cl)C(F)(F)F.
What is the InChIKey of 3-chloro-1,1,1,3-tetrafluoropropan-2-one?
The InChIKey is WOZVJXPRDKSTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HClF4O/c4-2(5)1(9)3(6,7)8/h2H.
What are the key properties of 3-chloro-1,1,1,3-tetrafluoropropan-2-one?
3-chloro-1,1,1,3-tetrafluoropropan-2-one has a molecular weight of 164.49 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,1,1,3-tetrafluoropropan-2-one is sourced from PubChem (CID 11240675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).