1-chloro-2-(trifluoromethoxy)benzene

C7H4ClF3O — CID 2782782

IUPAC1-chloro-2-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1ccccc1Cl
InChIInChI=1S/C7H4ClF3O/c8-5-3-1-2-4-6(5)12-7(9,10)11/h1-4H
InChIKeyNZRLCYJRHKUVCV-UHFFFAOYSA-N
MW196.56 g/mol
LogP3.24
Rot. Bonds1

About 1-chloro-2-(trifluoromethoxy)benzene

1-chloro-2-(trifluoromethoxy)benzene (PubChem CID 2782782) has the molecular formula C7H4ClF3O and a molecular weight of 196.56 g/mol. Its IUPAC name is 1-chloro-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-chloro-2-(trifluoromethoxy)benzene
PubChem CID2782782
Molecular FormulaC7H4ClF3O
Molecular Weight196.56 g/mol
Exact Mass195.99
IUPAC Name1-chloro-2-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1ccccc1Cl
InChIInChI=1S/C7H4ClF3O/c8-5-3-1-2-4-6(5)12-7(9,10)11/h1-4H
InChIKeyNZRLCYJRHKUVCV-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.56
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-Dichloroanisole
CID 11119
2,5-Dichloroanisole
CID 16125
2-Chloro-1,4-dimethoxybenzene
CID 246724
2,4,6-Trichloroanisole
CID 6884
4-Chloroanisole
CID 12167
2-Chloroanisole
CID 13011
2,3-Dichloroanisole
CID 16126
2,6-Dichloroanisole
CID 16127
3-Chloroanisole
CID 17833
Allyl 2-chlorophenyl ether
CID 292654
1-(2-Bromoethoxy)-2-chlorobenzene
CID 2384207
alpha,4-Dichloroanisole
CID 88801

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-chloro-2-(trifluoromethoxy)benzene (CID 2782782) is 1-chloro-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-chloro-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-chloro-2-(trifluoromethoxy)benzene is FC(F)(F)Oc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-(trifluoromethoxy)benzene?
The InChIKey is NZRLCYJRHKUVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3O/c8-5-3-1-2-4-6(5)12-7(9,10)11/h1-4H.
What are the key properties of 1-chloro-2-(trifluoromethoxy)benzene?
1-chloro-2-(trifluoromethoxy)benzene has a molecular weight of 196.56 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 2782782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).