4-[2-(2-chlorophenyl)propyl]-1-fluoro-2-propan-2-ylbenzene

C18H20ClF — CID 155474826

IUPAC4-[2-(2-chlorophenyl)propyl]-1-fluoro-2-propan-2-ylbenzene
SMILESCC(C)c1cc(CC(C)c2ccccc2Cl)ccc1F
InChIInChI=1S/C18H20ClF/c1-12(2)16-11-14(8-9-18(16)20)10-13(3)15-6-4-5-7-17(15)19/h4-9,11-13H,10H2,1-3H3
InChIKeyPAZPYACKTCWJPT-UHFFFAOYSA-N
MW290.81 g/mol
LogP5.95
Rot. Bonds4

About 4-[2-(2-chlorophenyl)propyl]-1-fluoro-2-propan-2-ylbenzene

4-[2-(2-chlorophenyl)propyl]-1-fluoro-2-propan-2-ylbenzene (PubChem CID 155474826) has the molecular formula C18H20ClF and a molecular weight of 290.81 g/mol. Its IUPAC name is 4-[2-(2-chlorophenyl)propyl]-1-fluoro-2-propan-2-ylbenzene.

Molecular Properties

Compound Name4-[2-(2-chlorophenyl)propyl]-1-fluoro-2-propan-2-ylbenzene
PubChem CID155474826
Molecular FormulaC18H20ClF
Molecular Weight290.81 g/mol
Exact Mass290.12
IUPAC Name4-[2-(2-chlorophenyl)propyl]-1-fluoro-2-propan-2-ylbenzene
SMILESCC(C)c1cc(CC(C)c2ccccc2Cl)ccc1F
InChIInChI=1S/C18H20ClF/c1-12(2)16-11-14(8-9-18(16)20)10-13(3)15-6-4-5-7-17(15)19/h4-9,11-13H,10H2,1-3H3
InChIKeyPAZPYACKTCWJPT-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.81
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-[2-(2-chlorophenyl)propyl]-1-fluoro-2-propan-2-ylbenzene 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

2-(3-chloro-4-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 103038949
2-chloro-4-[3-chloro-2-(2-chlorophenyl)propyl]-1-fluorobenzene
CID 103042096
2-(4-chloro-3-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 107883504
3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-1-amine
CID 103041153
2-chloro-4-fluoro-1-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene
CID 142425604
2-bromo-4-[3-bromo-2-(2-chlorophenyl)propyl]-1-fluorobenzene
CID 79454780
3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propanoic acid
CID 103038733
1-(4-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]propan-2-amine
CID 43677712
4-[2-(2,3-difluorophenyl)propyl]-2-propan-2-ylbenzonitrile
CID 162751752
N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 63459012
2-chloro-1-[1-(4-ethyl-3-propan-2-ylphenyl)propan-2-yl]-4-[(2-propan-2-ylphenoxy)methyl]benzene
CID 146252989
1-(4-fluoro-3-propan-2-ylphenyl)-N-methylmethanamine
CID 63887333

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chlorophenyl)propyl]-1-fluoro-2-propan-2-ylbenzene?
The IUPAC name of 4-[2-(2-chlorophenyl)propyl]-1-fluoro-2-propan-2-ylbenzene (CID 155474826) is 4-[2-(2-chlorophenyl)propyl]-1-fluoro-2-propan-2-ylbenzene.
What is the SMILES notation for 4-[2-(2-chlorophenyl)propyl]-1-fluoro-2-propan-2-ylbenzene?
The canonical SMILES for 4-[2-(2-chlorophenyl)propyl]-1-fluoro-2-propan-2-ylbenzene is CC(C)c1cc(CC(C)c2ccccc2Cl)ccc1F.
What is the InChIKey of 4-[2-(2-chlorophenyl)propyl]-1-fluoro-2-propan-2-ylbenzene?
The InChIKey is PAZPYACKTCWJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClF/c1-12(2)16-11-14(8-9-18(16)20)10-13(3)15-6-4-5-7-17(15)19/h4-9,11-13H,10H2,1-3H3.
What are the key properties of 4-[2-(2-chlorophenyl)propyl]-1-fluoro-2-propan-2-ylbenzene?
4-[2-(2-chlorophenyl)propyl]-1-fluoro-2-propan-2-ylbenzene has a molecular weight of 290.81 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chlorophenyl)propyl]-1-fluoro-2-propan-2-ylbenzene is sourced from PubChem (CID 155474826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).