1-chloro-2-[2-[2-chloro-4-(2-methylpropyl)phenyl]ethyl]-3-fluorobenzene

C18H19Cl2F — CID 178141373

IUPAC1-chloro-2-[2-[2-chloro-4-(2-methylpropyl)phenyl]ethyl]-3-fluorobenzene
SMILESCC(C)Cc1ccc(CCc2c(F)cccc2Cl)c(Cl)c1
InChIInChI=1S/C18H19Cl2F/c1-12(2)10-13-6-7-14(17(20)11-13)8-9-15-16(19)4-3-5-18(15)21/h3-7,11-12H,8-10H2,1-2H3
InChIKeyRSCUFYWGHIMVFW-UHFFFAOYSA-N
MW325.25 g/mol
LogP6.12
Rot. Bonds5

About 1-chloro-2-[2-[2-chloro-4-(2-methylpropyl)phenyl]ethyl]-3-fluorobenzene

1-chloro-2-[2-[2-chloro-4-(2-methylpropyl)phenyl]ethyl]-3-fluorobenzene (PubChem CID 178141373) has the molecular formula C18H19Cl2F and a molecular weight of 325.25 g/mol. Its IUPAC name is 1-chloro-2-[2-[2-chloro-4-(2-methylpropyl)phenyl]ethyl]-3-fluorobenzene.

Molecular Properties

Compound Name1-chloro-2-[2-[2-chloro-4-(2-methylpropyl)phenyl]ethyl]-3-fluorobenzene
PubChem CID178141373
Molecular FormulaC18H19Cl2F
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name1-chloro-2-[2-[2-chloro-4-(2-methylpropyl)phenyl]ethyl]-3-fluorobenzene
SMILESCC(C)Cc1ccc(CCc2c(F)cccc2Cl)c(Cl)c1
InChIInChI=1S/C18H19Cl2F/c1-12(2)10-13-6-7-14(17(20)11-13)8-9-15-16(19)4-3-5-18(15)21/h3-7,11-12H,8-10H2,1-2H3
InChIKeyRSCUFYWGHIMVFW-UHFFFAOYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.25
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-4-(2-methylpropyl)-1-propylbenzene
CID 58333438
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
[5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]methanol
CID 178141229
6-(2-chloro-6-fluorophenyl)-2-methylhexan-3-one
CID 64504064
4-[4-[2-(2-chloro-6-fluorophenyl)ethyl]phenyl]phenol
CID 22616276
[2-fluoro-4-(2-methylpropyl)phenyl]methanamine
CID 63887126
1-chloro-2-[chloro-[4-(2-methylpropyl)phenyl]methyl]-3-fluorobenzene
CID 63431072
N-[(2-chloro-6-fluorophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine;hydrochloride
CID 17209609
3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol
CID 66059359
2-chloro-4-[3-(2-chlorophenyl)sulfanyl-2-methylpropyl]-1-(3-methylbutyl)benzene
CID 175612577
1-(2-chloro-6-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 62899971
2-(2,6-dichlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543159

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[2-[2-chloro-4-(2-methylpropyl)phenyl]ethyl]-3-fluorobenzene?
The IUPAC name of 1-chloro-2-[2-[2-chloro-4-(2-methylpropyl)phenyl]ethyl]-3-fluorobenzene (CID 178141373) is 1-chloro-2-[2-[2-chloro-4-(2-methylpropyl)phenyl]ethyl]-3-fluorobenzene.
What is the SMILES notation for 1-chloro-2-[2-[2-chloro-4-(2-methylpropyl)phenyl]ethyl]-3-fluorobenzene?
The canonical SMILES for 1-chloro-2-[2-[2-chloro-4-(2-methylpropyl)phenyl]ethyl]-3-fluorobenzene is CC(C)Cc1ccc(CCc2c(F)cccc2Cl)c(Cl)c1.
What is the InChIKey of 1-chloro-2-[2-[2-chloro-4-(2-methylpropyl)phenyl]ethyl]-3-fluorobenzene?
The InChIKey is RSCUFYWGHIMVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2F/c1-12(2)10-13-6-7-14(17(20)11-13)8-9-15-16(19)4-3-5-18(15)21/h3-7,11-12H,8-10H2,1-2H3.
What are the key properties of 1-chloro-2-[2-[2-chloro-4-(2-methylpropyl)phenyl]ethyl]-3-fluorobenzene?
1-chloro-2-[2-[2-chloro-4-(2-methylpropyl)phenyl]ethyl]-3-fluorobenzene has a molecular weight of 325.25 g/mol, XLogP of 6.12, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[2-[2-chloro-4-(2-methylpropyl)phenyl]ethyl]-3-fluorobenzene is sourced from PubChem (CID 178141373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).