1-[2-chloro-5-methoxy-3-(trifluoromethyl)phenyl]ethanone

C10H8ClF3O2 — CID 119022399

IUPAC1-[2-chloro-5-methoxy-3-(trifluoromethyl)phenyl]ethanone
SMILESCOc1cc(C(C)=O)c(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H8ClF3O2/c1-5(15)7-3-6(16-2)4-8(9(7)11)10(12,13)14/h3-4H,1-2H3
InChIKeyRWXVZKRCOSFDTJ-UHFFFAOYSA-N
MW252.62 g/mol
LogP3.57
Rot. Bonds2

About 1-[2-chloro-5-methoxy-3-(trifluoromethyl)phenyl]ethanone

1-[2-chloro-5-methoxy-3-(trifluoromethyl)phenyl]ethanone (PubChem CID 119022399) has the molecular formula C10H8ClF3O2 and a molecular weight of 252.62 g/mol. Its IUPAC name is 1-[2-chloro-5-methoxy-3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-chloro-5-methoxy-3-(trifluoromethyl)phenyl]ethanone
PubChem CID119022399
Molecular FormulaC10H8ClF3O2
Molecular Weight252.62 g/mol
Exact Mass252.02
IUPAC Name1-[2-chloro-5-methoxy-3-(trifluoromethyl)phenyl]ethanone
SMILESCOc1cc(C(C)=O)c(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H8ClF3O2/c1-5(15)7-3-6(16-2)4-8(9(7)11)10(12,13)14/h3-4H,1-2H3
InChIKeyRWXVZKRCOSFDTJ-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.62
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-hydroxy-5-methoxy-3-(trifluoromethyl)phenyl]ethanone
CID 84796758
1-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]ethanone
CID 84706488
1-[4-methoxy-2,6-bis(trifluoromethyl)phenyl]ethanone
CID 134640576
1-[5-bromo-2-chloro-3-(trifluoromethyl)phenyl]ethanone
CID 121227620
1-[2-chloro-3-(difluoromethyl)-5-methoxyphenyl]ethanone
CID 171002234
1-[5-iodo-2-methoxy-4-(trifluoromethyl)phenyl]ethanone
CID 131379370
5-methoxy-2,3-bis(trifluoromethyl)benzamide
CID 118854542
2-chloro-4-methoxy-6-(trifluoromethyl)benzoyl chloride
CID 171002954
methyl 4-methoxy-2,6-bis(trifluoromethyl)benzoate
CID 15370697
4-methoxy-2,6-bis(trifluoromethyl)phenol
CID 134639085
1-[2,4-dichloro-5-(trifluoromethyl)phenyl]ethanone
CID 119002578
1-[5-methoxy-3-nitro-2-(trifluoromethyl)phenyl]ethanone
CID 171026031

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-methoxy-3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[2-chloro-5-methoxy-3-(trifluoromethyl)phenyl]ethanone (CID 119022399) is 1-[2-chloro-5-methoxy-3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-chloro-5-methoxy-3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[2-chloro-5-methoxy-3-(trifluoromethyl)phenyl]ethanone is COc1cc(C(C)=O)c(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1-[2-chloro-5-methoxy-3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is RWXVZKRCOSFDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3O2/c1-5(15)7-3-6(16-2)4-8(9(7)11)10(12,13)14/h3-4H,1-2H3.
What are the key properties of 1-[2-chloro-5-methoxy-3-(trifluoromethyl)phenyl]ethanone?
1-[2-chloro-5-methoxy-3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 252.62 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-methoxy-3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 119022399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).