1-(2,6-difluoro-4-methoxyphenyl)-2,2,3,3-tetrafluoropropan-1-one

C10H6F6O2 — CID 114032797

IUPAC1-(2,6-difluoro-4-methoxyphenyl)-2,2,3,3-tetrafluoropropan-1-one
SMILESCOc1cc(F)c(C(=O)C(F)(F)C(F)F)c(F)c1
InChIInChI=1S/C10H6F6O2/c1-18-4-2-5(11)7(6(12)3-4)8(17)10(15,16)9(13)14/h2-3,9H,1H3
InChIKeyOQLISKKPDVAXLX-UHFFFAOYSA-N
MW272.14 g/mol
LogP3.06
Rot. Bonds4

About 1-(2,6-difluoro-4-methoxyphenyl)-2,2,3,3-tetrafluoropropan-1-one

1-(2,6-difluoro-4-methoxyphenyl)-2,2,3,3-tetrafluoropropan-1-one (PubChem CID 114032797) has the molecular formula C10H6F6O2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 1-(2,6-difluoro-4-methoxyphenyl)-2,2,3,3-tetrafluoropropan-1-one.

Molecular Properties

Compound Name1-(2,6-difluoro-4-methoxyphenyl)-2,2,3,3-tetrafluoropropan-1-one
PubChem CID114032797
Molecular FormulaC10H6F6O2
Molecular Weight272.14 g/mol
Exact Mass272.03
IUPAC Name1-(2,6-difluoro-4-methoxyphenyl)-2,2,3,3-tetrafluoropropan-1-one
SMILESCOc1cc(F)c(C(=O)C(F)(F)C(F)F)c(F)c1
InChIInChI=1S/C10H6F6O2/c1-18-4-2-5(11)7(6(12)3-4)8(17)10(15,16)9(13)14/h2-3,9H,1H3
InChIKeyOQLISKKPDVAXLX-UHFFFAOYSA-N
XLogP3.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-(2,6-difluoro-4-methoxyphenyl)propan-1-one
CID 18967825
N-(3,5-dimethoxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103731911
1-(2,6-difluoro-4-methoxyphenyl)-3-methylbutan-1-one
CID 60965545
(2,6-difluoro-4-methoxyphenyl)-(3,4,5-trifluorophenyl)methanone
CID 63187510
1-(2-fluoro-4-methoxy-6-methylphenyl)ethanone
CID 171014376
3-(2,6-difluoro-4-methoxybenzoyl)cyclopentane-1-carboxylic acid
CID 103551753
(2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882225
(3,5-dichlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanone
CID 60965946
(2,6-difluoro-4-methoxyphenyl)-(4-methylphenyl)methanone
CID 54880508
methyl 4-methoxy-2,6-bis(trifluoromethyl)benzoate
CID 15370697
2-acetyloxy-6-fluoro-4-methoxybenzoic acid
CID 18183431
1-(2-amino-6-fluoro-4-methoxyphenyl)-2-chloroethanone
CID 171018157

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-4-methoxyphenyl)-2,2,3,3-tetrafluoropropan-1-one?
The IUPAC name of 1-(2,6-difluoro-4-methoxyphenyl)-2,2,3,3-tetrafluoropropan-1-one (CID 114032797) is 1-(2,6-difluoro-4-methoxyphenyl)-2,2,3,3-tetrafluoropropan-1-one.
What is the SMILES notation for 1-(2,6-difluoro-4-methoxyphenyl)-2,2,3,3-tetrafluoropropan-1-one?
The canonical SMILES for 1-(2,6-difluoro-4-methoxyphenyl)-2,2,3,3-tetrafluoropropan-1-one is COc1cc(F)c(C(=O)C(F)(F)C(F)F)c(F)c1.
What is the InChIKey of 1-(2,6-difluoro-4-methoxyphenyl)-2,2,3,3-tetrafluoropropan-1-one?
The InChIKey is OQLISKKPDVAXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6O2/c1-18-4-2-5(11)7(6(12)3-4)8(17)10(15,16)9(13)14/h2-3,9H,1H3.
What are the key properties of 1-(2,6-difluoro-4-methoxyphenyl)-2,2,3,3-tetrafluoropropan-1-one?
1-(2,6-difluoro-4-methoxyphenyl)-2,2,3,3-tetrafluoropropan-1-one has a molecular weight of 272.14 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-4-methoxyphenyl)-2,2,3,3-tetrafluoropropan-1-one is sourced from PubChem (CID 114032797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).