2,2-difluoro-1-(4-hexylphenyl)ethanone

C14H18F2O — CID 146007053

IUPAC2,2-difluoro-1-(4-hexylphenyl)ethanone
SMILESCCCCCCc1ccc(C(=O)C(F)F)cc1
InChIInChI=1S/C14H18F2O/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(17)14(15)16/h7-10,14H,2-6H2,1H3
InChIKeyNZVDHZLUWKELSR-UHFFFAOYSA-N
MW240.29 g/mol
LogP4.26
Rot. Bonds7

About 2,2-difluoro-1-(4-hexylphenyl)ethanone

2,2-difluoro-1-(4-hexylphenyl)ethanone (PubChem CID 146007053) has the molecular formula C14H18F2O and a molecular weight of 240.29 g/mol. Its IUPAC name is 2,2-difluoro-1-(4-hexylphenyl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(4-hexylphenyl)ethanone
PubChem CID146007053
Molecular FormulaC14H18F2O
Molecular Weight240.29 g/mol
Exact Mass240.13
IUPAC Name2,2-difluoro-1-(4-hexylphenyl)ethanone
SMILESCCCCCCc1ccc(C(=O)C(F)F)cc1
InChIInChI=1S/C14H18F2O/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(17)14(15)16/h7-10,14H,2-6H2,1H3
InChIKeyNZVDHZLUWKELSR-UHFFFAOYSA-N
XLogP4.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 54.26
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-methyl-1-(4-octadecylphenyl)propan-1-one
CID 14770317
2-ethyl-1-(4-hexylphenyl)butan-1-one
CID 146007076
(2R)-2-chloro-1-(4-hexylphenyl)propan-1-one
CID 2434866
1-(4-hexylphenyl)-2,2-dimethylpropan-1-one
CID 59409785
1-(4-decylphenyl)-2-hydroxy-2-methylpropan-1-one
CID 22182131
2-bromo-2,2-difluoro-1-(4-pentylphenyl)ethanone
CID 146007782
2-chloro-1-(4-pentylphenyl)butan-1-one
CID 146007790
ethane;1-(4-hexadecylphenyl)ethanone
CID 144958905
4-pentylbenzoyl bromide
CID 87349955
2,2-difluoro-1-(4-fluorophenyl)-2-(4-pentylphenyl)ethanone
CID 14993513
4-octylbenzamide;hydrochloride
CID 131740255
sodium 4-decylbenzoate
CID 68743346

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(4-hexylphenyl)ethanone?
The IUPAC name of 2,2-difluoro-1-(4-hexylphenyl)ethanone (CID 146007053) is 2,2-difluoro-1-(4-hexylphenyl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(4-hexylphenyl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(4-hexylphenyl)ethanone is CCCCCCc1ccc(C(=O)C(F)F)cc1.
What is the InChIKey of 2,2-difluoro-1-(4-hexylphenyl)ethanone?
The InChIKey is NZVDHZLUWKELSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(17)14(15)16/h7-10,14H,2-6H2,1H3.
What are the key properties of 2,2-difluoro-1-(4-hexylphenyl)ethanone?
2,2-difluoro-1-(4-hexylphenyl)ethanone has a molecular weight of 240.29 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(4-hexylphenyl)ethanone is sourced from PubChem (CID 146007053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).