1-[3-[(2-chlorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone

C15H10ClF3O2 — CID 83952238

IUPAC1-[3-[(2-chlorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone
SMILESO=C(c1cccc(OCc2ccccc2Cl)c1)C(F)(F)F
InChIInChI=1S/C15H10ClF3O2/c16-13-7-2-1-4-11(13)9-21-12-6-3-5-10(8-12)14(20)15(17,18)19/h1-8H,9H2
InChIKeyHIKPOJIMPMNNGF-UHFFFAOYSA-N
MW314.69 g/mol
LogP4.66
Rot. Bonds4

About 1-[3-[(2-chlorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone

1-[3-[(2-chlorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone (PubChem CID 83952238) has the molecular formula C15H10ClF3O2 and a molecular weight of 314.69 g/mol. Its IUPAC name is 1-[3-[(2-chlorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[3-[(2-chlorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone
PubChem CID83952238
Molecular FormulaC15H10ClF3O2
Molecular Weight314.69 g/mol
Exact Mass314.03
IUPAC Name1-[3-[(2-chlorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone
SMILESO=C(c1cccc(OCc2ccccc2Cl)c1)C(F)(F)F
InChIInChI=1S/C15H10ClF3O2/c16-13-7-2-1-4-11(13)9-21-12-6-3-5-10(8-12)14(20)15(17,18)19/h1-8H,9H2
InChIKeyHIKPOJIMPMNNGF-UHFFFAOYSA-N
XLogP4.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.69
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide
CID 13176467
3-[(2-chlorophenyl)methoxy]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 30155523
1-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2,2,2-trifluoroethanone
CID 83952085
1-[2-[(3-chlorophenoxy)methyl]phenyl]-2,2,2-trifluoroethanone
CID 134105100
azepan-1-yl-[3-[(2-chlorophenyl)methoxy]phenyl]methanone
CID 100749219
2,2,2-trifluoro-1-[3-[(4-methylphenyl)methoxy]phenyl]ethanone
CID 83951355
3-[(2-chlorophenyl)methoxy]-N-prop-2-enylbenzamide
CID 30155712
3-[(2-chlorophenyl)methoxy]-N-(3-methoxyphenyl)benzamide
CID 30155561
3-[(2-chlorophenyl)methoxy]-N-(pyridin-4-ylmethyl)benzamide
CID 30155863
N-benzyl-3-[(2-chlorophenyl)methoxy]-N-ethylbenzamide
CID 100750102
3-[(2-chlorophenyl)methoxy]aniline
CID 23010255
3-[3-[(2-chlorophenyl)methoxy]phenyl]propanoic acid
CID 83952241

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-chlorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[3-[(2-chlorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone (CID 83952238) is 1-[3-[(2-chlorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[3-[(2-chlorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[3-[(2-chlorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone is O=C(c1cccc(OCc2ccccc2Cl)c1)C(F)(F)F.
What is the InChIKey of 1-[3-[(2-chlorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone?
The InChIKey is HIKPOJIMPMNNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3O2/c16-13-7-2-1-4-11(13)9-21-12-6-3-5-10(8-12)14(20)15(17,18)19/h1-8H,9H2.
What are the key properties of 1-[3-[(2-chlorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone?
1-[3-[(2-chlorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone has a molecular weight of 314.69 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-chlorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 83952238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).