1-chloro-3-ethyl-2-(trifluoromethyl)benzene

C9H8ClF3 — CID 71072896

IUPAC1-chloro-3-ethyl-2-(trifluoromethyl)benzene
SMILESCCc1cccc(Cl)c1C(F)(F)F
InChIInChI=1S/C9H8ClF3/c1-2-6-4-3-5-7(10)8(6)9(11,12)13/h3-5H,2H2,1H3
InChIKeyKPOMKEDSTYTCLT-UHFFFAOYSA-N
MW208.61 g/mol
LogP3.92
Rot. Bonds1

About 1-chloro-3-ethyl-2-(trifluoromethyl)benzene

1-chloro-3-ethyl-2-(trifluoromethyl)benzene (PubChem CID 71072896) has the molecular formula C9H8ClF3 and a molecular weight of 208.61 g/mol. Its IUPAC name is 1-chloro-3-ethyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-3-ethyl-2-(trifluoromethyl)benzene
PubChem CID71072896
Molecular FormulaC9H8ClF3
Molecular Weight208.61 g/mol
Exact Mass208.03
IUPAC Name1-chloro-3-ethyl-2-(trifluoromethyl)benzene
SMILESCCc1cccc(Cl)c1C(F)(F)F
InChIInChI=1S/C9H8ClF3/c1-2-6-4-3-5-7(10)8(6)9(11,12)13/h3-5H,2H2,1H3
InChIKeyKPOMKEDSTYTCLT-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.61
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-diethyl-2-(trifluoromethyl)benzene
CID 91552460
1-bromo-3-[3-chloro-2-(trifluoromethyl)phenyl]propan-2-one
CID 134616528
1-[3-ethyl-2-(trifluoromethyl)phenyl]propan-2-one
CID 118835917
1-(chloromethyl)-4-ethyl-2,3-bis(trifluoromethyl)benzene
CID 135742827
[3-chloro-2-(1,1-difluoroethyl)phenyl]methanesulfonyl chloride
CID 117466693
3-ethyl-2-(trifluoromethyl)benzoate
CID 53405985
1-chloro-3-ethyl-2-fluorobenzene;1-methyl-2-(trifluoromethyl)benzene
CID 143923368
1-chloro-3-methyl-2-(trifluoromethyl)benzene;sulfuryl dichloride
CID 175251284
3-chloro-N,N-dimethyl-2-(trifluoromethyl)aniline
CID 67610403
3-chloro-N-methyl-2-(trifluoromethyl)aniline
CID 67814646
[4-chloro-2-ethyl-3-(trifluoromethyl)phenyl]methanamine
CID 57355635
[4-ethyl-2,3-bis(trifluoromethyl)phenyl]methanol
CID 134638791

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-ethyl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-3-ethyl-2-(trifluoromethyl)benzene (CID 71072896) is 1-chloro-3-ethyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-3-ethyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-3-ethyl-2-(trifluoromethyl)benzene is CCc1cccc(Cl)c1C(F)(F)F.
What is the InChIKey of 1-chloro-3-ethyl-2-(trifluoromethyl)benzene?
The InChIKey is KPOMKEDSTYTCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3/c1-2-6-4-3-5-7(10)8(6)9(11,12)13/h3-5H,2H2,1H3.
What are the key properties of 1-chloro-3-ethyl-2-(trifluoromethyl)benzene?
1-chloro-3-ethyl-2-(trifluoromethyl)benzene has a molecular weight of 208.61 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-ethyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 71072896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).