1-chloro-2-[1-(2-chloro-4-fluorophenyl)ethyl]-4-propan-2-ylbenzene

C17H17Cl2F — CID 170073168

IUPAC1-chloro-2-[1-(2-chloro-4-fluorophenyl)ethyl]-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(Cl)c(C(C)c2ccc(F)cc2Cl)c1
InChIInChI=1S/C17H17Cl2F/c1-10(2)12-4-7-16(18)15(8-12)11(3)14-6-5-13(20)9-17(14)19/h4-11H,1-3H3
InChIKeyGZNSCLSVVYQPFW-UHFFFAOYSA-N
MW311.23 g/mol
LogP6.41
Rot. Bonds3

About 1-chloro-2-[1-(2-chloro-4-fluorophenyl)ethyl]-4-propan-2-ylbenzene

1-chloro-2-[1-(2-chloro-4-fluorophenyl)ethyl]-4-propan-2-ylbenzene (PubChem CID 170073168) has the molecular formula C17H17Cl2F and a molecular weight of 311.23 g/mol. Its IUPAC name is 1-chloro-2-[1-(2-chloro-4-fluorophenyl)ethyl]-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-chloro-2-[1-(2-chloro-4-fluorophenyl)ethyl]-4-propan-2-ylbenzene
PubChem CID170073168
Molecular FormulaC17H17Cl2F
Molecular Weight311.23 g/mol
Exact Mass310.07
IUPAC Name1-chloro-2-[1-(2-chloro-4-fluorophenyl)ethyl]-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(Cl)c(C(C)c2ccc(F)cc2Cl)c1
InChIInChI=1S/C17H17Cl2F/c1-10(2)12-4-7-16(18)15(8-12)11(3)14-6-5-13(20)9-17(14)19/h4-11H,1-3H3
InChIKeyGZNSCLSVVYQPFW-UHFFFAOYSA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.23
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 63419710
1-(2-chloro-4-fluorophenyl)ethanamine
CID 18542888
2-chloro-4-fluoro-1-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene
CID 142425604
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43766668
1-(2-chloro-4-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 63420064
1-(2-chloro-4-fluorophenyl)-3-methylbutan-1-amine
CID 62945198
2-(2-chloro-4-fluorophenyl)propanamide
CID 155026296
2-(2-chloro-4-fluorophenyl)propan-1-amine
CID 66438470
2-chloro-1-[chloro-(4-chlorophenyl)methyl]-4-fluorobenzene
CID 63429018
(2R)-2-(2-chloro-5-propan-2-ylphenyl)-2-fluoro-N,N-dimethylacetamide
CID 171580435
2-(2-chloro-4-fluorophenyl)pentan-3-amine
CID 79308367
1-fluoro-4-propan-2-ylbenzene;2-methylpropane
CID 177367696

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[1-(2-chloro-4-fluorophenyl)ethyl]-4-propan-2-ylbenzene?
The IUPAC name of 1-chloro-2-[1-(2-chloro-4-fluorophenyl)ethyl]-4-propan-2-ylbenzene (CID 170073168) is 1-chloro-2-[1-(2-chloro-4-fluorophenyl)ethyl]-4-propan-2-ylbenzene.
What is the SMILES notation for 1-chloro-2-[1-(2-chloro-4-fluorophenyl)ethyl]-4-propan-2-ylbenzene?
The canonical SMILES for 1-chloro-2-[1-(2-chloro-4-fluorophenyl)ethyl]-4-propan-2-ylbenzene is CC(C)c1ccc(Cl)c(C(C)c2ccc(F)cc2Cl)c1.
What is the InChIKey of 1-chloro-2-[1-(2-chloro-4-fluorophenyl)ethyl]-4-propan-2-ylbenzene?
The InChIKey is GZNSCLSVVYQPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2F/c1-10(2)12-4-7-16(18)15(8-12)11(3)14-6-5-13(20)9-17(14)19/h4-11H,1-3H3.
What are the key properties of 1-chloro-2-[1-(2-chloro-4-fluorophenyl)ethyl]-4-propan-2-ylbenzene?
1-chloro-2-[1-(2-chloro-4-fluorophenyl)ethyl]-4-propan-2-ylbenzene has a molecular weight of 311.23 g/mol, XLogP of 6.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[1-(2-chloro-4-fluorophenyl)ethyl]-4-propan-2-ylbenzene is sourced from PubChem (CID 170073168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).