1,1-difluoro-1-iodohexan-2-one

C6H9F2IO — CID 10422794

IUPAC1,1-difluoro-1-iodohexan-2-one
SMILESCCCCC(=O)C(F)(F)I
InChIInChI=1S/C6H9F2IO/c1-2-3-4-5(10)6(7,8)9/h2-4H2,1H3
InChIKeyHUPPJGUJPSUJBU-UHFFFAOYSA-N
MW262.04 g/mol
LogP2.77
Rot. Bonds4

About 1,1-difluoro-1-iodohexan-2-one

1,1-difluoro-1-iodohexan-2-one (PubChem CID 10422794) has the molecular formula C6H9F2IO and a molecular weight of 262.04 g/mol. Its IUPAC name is 1,1-difluoro-1-iodohexan-2-one.

Molecular Properties

Compound Name1,1-difluoro-1-iodohexan-2-one
PubChem CID10422794
Molecular FormulaC6H9F2IO
Molecular Weight262.04 g/mol
Exact Mass261.97
IUPAC Name1,1-difluoro-1-iodohexan-2-one
SMILESCCCCC(=O)C(F)(F)I
InChIInChI=1S/C6H9F2IO/c1-2-3-4-5(10)6(7,8)9/h2-4H2,1H3
InChIKeyHUPPJGUJPSUJBU-UHFFFAOYSA-N
XLogP2.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.04
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-tribromohexan-2-one
CID 154116668
2-fluoro-2-methyldecan-3-one
CID 14645302
5,5-difluorodecan-4-one
CID 137420614
11-amino-11-decanoylhenicosane-10,12-dione;hydrofluoride
CID 173393402
pentanoic acid;bis(2,2,2-trifluoroacetic acid)
CID 159071922
5-(2-butoxyethoxy)-1,1,1-trifluoropentan-2-one
CID 157126215
1,1,1-trifluorooctan-4-one
CID 79404361
2-methyl-2-(methylamino)heptan-3-one
CID 116566324
2-amino-1,1,1-trifluoro-2-methylpentadecan-3-one
CID 116593074
pentanoic acid;trifluoromethanesulfonic acid
CID 158887018
pentanoyl chloride;hydrofluoride
CID 174423538
pentane;2,2,2-trifluoroacetic acid
CID 161039566

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-iodohexan-2-one?
The IUPAC name of 1,1-difluoro-1-iodohexan-2-one (CID 10422794) is 1,1-difluoro-1-iodohexan-2-one.
What is the SMILES notation for 1,1-difluoro-1-iodohexan-2-one?
The canonical SMILES for 1,1-difluoro-1-iodohexan-2-one is CCCCC(=O)C(F)(F)I.
What is the InChIKey of 1,1-difluoro-1-iodohexan-2-one?
The InChIKey is HUPPJGUJPSUJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2IO/c1-2-3-4-5(10)6(7,8)9/h2-4H2,1H3.
What are the key properties of 1,1-difluoro-1-iodohexan-2-one?
1,1-difluoro-1-iodohexan-2-one has a molecular weight of 262.04 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-iodohexan-2-one is sourced from PubChem (CID 10422794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).