1-chloro-1-fluorohexan-2-one

C6H10ClFO — CID 45119049

IUPAC1-chloro-1-fluorohexan-2-one
SMILESCCCCC(=O)C(F)Cl
InChIInChI=1S/C6H10ClFO/c1-2-3-4-5(9)6(7)8/h6H,2-4H2,1H3
InChIKeyVFWGHWCSZVFRRH-UHFFFAOYSA-N
MW152.60 g/mol
LogP2.28
Rot. Bonds4

About 1-chloro-1-fluorohexan-2-one

1-chloro-1-fluorohexan-2-one (PubChem CID 45119049) has the molecular formula C6H10ClFO and a molecular weight of 152.60 g/mol. Its IUPAC name is 1-chloro-1-fluorohexan-2-one.

Molecular Properties

Compound Name1-chloro-1-fluorohexan-2-one
PubChem CID45119049
Molecular FormulaC6H10ClFO
Molecular Weight152.60 g/mol
Exact Mass152.04
IUPAC Name1-chloro-1-fluorohexan-2-one
SMILESCCCCC(=O)C(F)Cl
InChIInChI=1S/C6H10ClFO/c1-2-3-4-5(9)6(7)8/h6H,2-4H2,1H3
InChIKeyVFWGHWCSZVFRRH-UHFFFAOYSA-N
XLogP2.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.60
LogP ≤ 52.28
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

2-chloro-3-oxoheptanoic acid
CID 23089387
1,1-diiodohexan-2-one
CID 12616826
2-methylheptan-3-one;hydrate
CID 176897102
2-chloroheptadecan-3-one
CID 88651520
4-propylnonan-5-one
CID 19931333
9-chlorooctadecan-8-one
CID 54543005
(4S)-4-methylnonan-5-one;(4R)-4-methylnonan-5-one
CID 162100012
(2S)-1,2-diaminoheptan-3-one
CID 157131527
2-methyl-3-oxoheptanal
CID 89327816
2-trimethylsilyloctan-3-one
CID 13048487
pentanoyl chloride;hydrofluoride
CID 174423538
hypochlorous acid;pentanoic acid
CID 157152267

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-fluorohexan-2-one?
The IUPAC name of 1-chloro-1-fluorohexan-2-one (CID 45119049) is 1-chloro-1-fluorohexan-2-one.
What is the SMILES notation for 1-chloro-1-fluorohexan-2-one?
The canonical SMILES for 1-chloro-1-fluorohexan-2-one is CCCCC(=O)C(F)Cl.
What is the InChIKey of 1-chloro-1-fluorohexan-2-one?
The InChIKey is VFWGHWCSZVFRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClFO/c1-2-3-4-5(9)6(7)8/h6H,2-4H2,1H3.
What are the key properties of 1-chloro-1-fluorohexan-2-one?
1-chloro-1-fluorohexan-2-one has a molecular weight of 152.60 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-fluorohexan-2-one is sourced from PubChem (CID 45119049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).