1-chloro-3-(1-fluoroethyl)benzene

C8H8ClF — CID 84650823

IUPAC1-chloro-3-(1-fluoroethyl)benzene
SMILESCC(F)c1cccc(Cl)c1
InChIInChI=1S/C8H8ClF/c1-6(10)7-3-2-4-8(9)5-7/h2-6H,1H3
InChIKeyOFMPHULLMLODLM-UHFFFAOYSA-N
MW158.60 g/mol
LogP3.37
Rot. Bonds1

About 1-chloro-3-(1-fluoroethyl)benzene

1-chloro-3-(1-fluoroethyl)benzene (PubChem CID 84650823) has the molecular formula C8H8ClF and a molecular weight of 158.60 g/mol. Its IUPAC name is 1-chloro-3-(1-fluoroethyl)benzene.

Molecular Properties

Compound Name1-chloro-3-(1-fluoroethyl)benzene
PubChem CID84650823
Molecular FormulaC8H8ClF
Molecular Weight158.60 g/mol
Exact Mass158.03
IUPAC Name1-chloro-3-(1-fluoroethyl)benzene
SMILESCC(F)c1cccc(Cl)c1
InChIInChI=1S/C8H8ClF/c1-6(10)7-3-2-4-8(9)5-7/h2-6H,1H3
InChIKeyOFMPHULLMLODLM-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.60
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-3-(1-fluoroethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Chlorotoluene
CID 7810
1-Chloro-4-(trifluoromethyl)benzene
CID 7394
2-Chlorotoluene
CID 7238
3-Chlorotoluene
CID 7931
2-Chlorostyrene
CID 14906
3-Chlorobiphenyl
CID 16322
3,3'-Dichlorobiphenyl
CID 16307
4-Chlorostyrene
CID 14085
3,5-Dichlorobiphenyl
CID 36981
1-Chloro-2-(trifluoromethyl)benzene
CID 6921
3,4'-Dichlorobiphenyl
CID 18101
2,5-Dichlorotoluene
CID 29572

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(1-fluoroethyl)benzene?
The IUPAC name of 1-chloro-3-(1-fluoroethyl)benzene (CID 84650823) is 1-chloro-3-(1-fluoroethyl)benzene.
What is the SMILES notation for 1-chloro-3-(1-fluoroethyl)benzene?
The canonical SMILES for 1-chloro-3-(1-fluoroethyl)benzene is CC(F)c1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-(1-fluoroethyl)benzene?
The InChIKey is OFMPHULLMLODLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF/c1-6(10)7-3-2-4-8(9)5-7/h2-6H,1H3.
What are the key properties of 1-chloro-3-(1-fluoroethyl)benzene?
1-chloro-3-(1-fluoroethyl)benzene has a molecular weight of 158.60 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(1-fluoroethyl)benzene is sourced from PubChem (CID 84650823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).