5-chloro-1,1,1-trifluoropentan-2-one

C5H6ClF3O — CID 65439315

IUPAC5-chloro-1,1,1-trifluoropentan-2-one
SMILESO=C(CCCCl)C(F)(F)F
InChIInChI=1S/C5H6ClF3O/c6-3-1-2-4(10)5(7,8)9/h1-3H2
InChIKeyUMTNDQZFGYYGAG-UHFFFAOYSA-N
MW174.55 g/mol
LogP2.14
Rot. Bonds3

About 5-chloro-1,1,1-trifluoropentan-2-one

5-chloro-1,1,1-trifluoropentan-2-one (PubChem CID 65439315) has the molecular formula C5H6ClF3O and a molecular weight of 174.55 g/mol. Its IUPAC name is 5-chloro-1,1,1-trifluoropentan-2-one.

Molecular Properties

Compound Name5-chloro-1,1,1-trifluoropentan-2-one
PubChem CID65439315
Molecular FormulaC5H6ClF3O
Molecular Weight174.55 g/mol
Exact Mass174.01
IUPAC Name5-chloro-1,1,1-trifluoropentan-2-one
SMILESO=C(CCCCl)C(F)(F)F
InChIInChI=1S/C5H6ClF3O/c6-3-1-2-4(10)5(7,8)9/h1-3H2
InChIKeyUMTNDQZFGYYGAG-UHFFFAOYSA-N
XLogP2.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.55
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Chloro-3,3-difluorobutan-2-one
CID 54537559
1-Chloro-4,4,4-trifluorobutan-2-one
CID 14471032
4-Chloro-1,1,1-trifluorobutan-2-one
CID 12936265
5-Chloro-1,1,1-trifluoro-pentan-3-one
CID 12622107
1-Chloro-1,1-difluoro-3-pentanone
CID 12656813
5-Chloro-3-fluoropentan-2-one
CID 18954480
1,4,4-Trichloro-5,5,5-trifluoropentan-2-one
CID 57049943
4-Chloro-1,1,1-trifluoropentane-2,3-dione
CID 57131529
1-Chloro-5-fluoropentan-2-one
CID 58035856
4-Chloro-3,4,5,5,5-pentafluoropentan-2-one
CID 59123625
1-Chloro-5,5,5-trifluoropentan-2-one
CID 79002115
5-Chloro-1,1,1-trifluoropentane-2,3-dione
CID 87706806

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,1,1-trifluoropentan-2-one?
The IUPAC name of 5-chloro-1,1,1-trifluoropentan-2-one (CID 65439315) is 5-chloro-1,1,1-trifluoropentan-2-one.
What is the SMILES notation for 5-chloro-1,1,1-trifluoropentan-2-one?
The canonical SMILES for 5-chloro-1,1,1-trifluoropentan-2-one is O=C(CCCCl)C(F)(F)F.
What is the InChIKey of 5-chloro-1,1,1-trifluoropentan-2-one?
The InChIKey is UMTNDQZFGYYGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClF3O/c6-3-1-2-4(10)5(7,8)9/h1-3H2.
What are the key properties of 5-chloro-1,1,1-trifluoropentan-2-one?
5-chloro-1,1,1-trifluoropentan-2-one has a molecular weight of 174.55 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,1,1-trifluoropentan-2-one is sourced from PubChem (CID 65439315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).