1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone

C15H9ClF4O2 — CID 83950958

IUPAC1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone
SMILESO=C(c1ccc(OCc2c(F)cccc2Cl)cc1)C(F)(F)F
InChIInChI=1S/C15H9ClF4O2/c16-12-2-1-3-13(17)11(12)8-22-10-6-4-9(5-7-10)14(21)15(18,19)20/h1-7H,8H2
InChIKeyKDUXNFHEQZWJSE-UHFFFAOYSA-N
MW332.68 g/mol
LogP4.80
Rot. Bonds4

About 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone

1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone (PubChem CID 83950958) has the molecular formula C15H9ClF4O2 and a molecular weight of 332.68 g/mol. Its IUPAC name is 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone
PubChem CID83950958
Molecular FormulaC15H9ClF4O2
Molecular Weight332.68 g/mol
Exact Mass332.02
IUPAC Name1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone
SMILESO=C(c1ccc(OCc2c(F)cccc2Cl)cc1)C(F)(F)F
InChIInChI=1S/C15H9ClF4O2/c16-12-2-1-3-13(17)11(12)8-22-10-6-4-9(5-7-10)14(21)15(18,19)20/h1-7H,8H2
InChIKeyKDUXNFHEQZWJSE-UHFFFAOYSA-N
XLogP4.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.68
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 76999636
3-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-ol
CID 170874555
2-[tert-butyl(diphenyl)silyl]oxy-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanone
CID 178142191
4-amino-3-[(2-chloro-6-fluorophenyl)methoxy]benzoic acid
CID 61496257
3-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-ol;hydrochloride
CID 170874554
methyl (2R)-2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-methylpropanoate
CID 175813154
(1R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine
CID 63367550
2,2,2-trifluoro-1-[4-[[2,4,6-tributyl-3,5-bis[[4-(2,2,2-trifluoroacetyl)phenoxy]methyl]phenyl]methoxy]phenyl]ethanone
CID 102572345
4-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]but-3-yn-1-ol
CID 61496372
4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxybenzoic acid
CID 22685655
N-[(Z)-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2-methylpropanamide
CID 39818810
(2E)-2-[[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile
CID 6150631

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone (CID 83950958) is 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone is O=C(c1ccc(OCc2c(F)cccc2Cl)cc1)C(F)(F)F.
What is the InChIKey of 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone?
The InChIKey is KDUXNFHEQZWJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF4O2/c16-12-2-1-3-13(17)11(12)8-22-10-6-4-9(5-7-10)14(21)15(18,19)20/h1-7H,8H2.
What are the key properties of 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone?
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone has a molecular weight of 332.68 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 83950958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).