5,5-difluorodecan-4-one

C10H18F2O — CID 137420614

IUPAC5,5-difluorodecan-4-one
SMILESCCCCCC(F)(F)C(=O)CCC
InChIInChI=1S/C10H18F2O/c1-3-5-6-8-10(11,12)9(13)7-4-2/h3-8H2,1-2H3
InChIKeyBFJOQEJNRFFVMC-UHFFFAOYSA-N
MW192.25 g/mol
LogP3.57
Rot. Bonds7

About 5,5-difluorodecan-4-one

5,5-difluorodecan-4-one (PubChem CID 137420614) has the molecular formula C10H18F2O and a molecular weight of 192.25 g/mol. Its IUPAC name is 5,5-difluorodecan-4-one.

Molecular Properties

Compound Name5,5-difluorodecan-4-one
PubChem CID137420614
Molecular FormulaC10H18F2O
Molecular Weight192.25 g/mol
Exact Mass192.13
IUPAC Name5,5-difluorodecan-4-one
SMILESCCCCCC(F)(F)C(=O)CCC
InChIInChI=1S/C10H18F2O/c1-3-5-6-8-10(11,12)9(13)7-4-2/h3-8H2,1-2H3
InChIKeyBFJOQEJNRFFVMC-UHFFFAOYSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoroheptanoic acid
CID 14928309
2,2-difluorohexadecanoic acid;molecular hydrogen
CID 91802263
methyl 2,2-difluoroheptadecanoate
CID 150501536
methyl 2,2-difluorodecanoate
CID 22025599
2,2-difluorohexadecanoic acid;iodomethane;molecular hydrogen
CID 159949159
11-octanoyl-11-tridecyltricosane-10,12-dione
CID 141100179
2-fluoro-2-methyldecan-3-one
CID 14645302
3,3-difluoro-1-[methoxy(methyl)phosphoryl]oxynonan-2-one
CID 57176391
2-hydroxy-2-pentylheptanoic acid
CID 18462857
3-fluoro-3-pentyloctanoic acid
CID 177137952
9-fluoropentacosan-9-ol
CID 139794548
(2S)-2-hydroxy-2-(trifluoromethyl)heptanoic acid
CID 139819662

Frequently Asked Questions

What is the IUPAC name of 5,5-difluorodecan-4-one?
The IUPAC name of 5,5-difluorodecan-4-one (CID 137420614) is 5,5-difluorodecan-4-one.
What is the SMILES notation for 5,5-difluorodecan-4-one?
The canonical SMILES for 5,5-difluorodecan-4-one is CCCCCC(F)(F)C(=O)CCC.
What is the InChIKey of 5,5-difluorodecan-4-one?
The InChIKey is BFJOQEJNRFFVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O/c1-3-5-6-8-10(11,12)9(13)7-4-2/h3-8H2,1-2H3.
What are the key properties of 5,5-difluorodecan-4-one?
5,5-difluorodecan-4-one has a molecular weight of 192.25 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluorodecan-4-one is sourced from PubChem (CID 137420614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).