1-chloro-3-[2-(2-chloro-4-propan-2-ylphenyl)propan-2-yl]-2-fluorobenzene

C18H19Cl2F — CID 138625473

IUPAC1-chloro-3-[2-(2-chloro-4-propan-2-ylphenyl)propan-2-yl]-2-fluorobenzene
SMILESCC(C)c1ccc(C(C)(C)c2cccc(Cl)c2F)c(Cl)c1
InChIInChI=1S/C18H19Cl2F/c1-11(2)12-8-9-13(16(20)10-12)18(3,4)14-6-5-7-15(19)17(14)21/h5-11H,1-4H3
InChIKeyQETXWVBQMHNOHD-UHFFFAOYSA-N
MW325.25 g/mol
LogP6.58
Rot. Bonds3

About 1-chloro-3-[2-(2-chloro-4-propan-2-ylphenyl)propan-2-yl]-2-fluorobenzene

1-chloro-3-[2-(2-chloro-4-propan-2-ylphenyl)propan-2-yl]-2-fluorobenzene (PubChem CID 138625473) has the molecular formula C18H19Cl2F and a molecular weight of 325.25 g/mol. Its IUPAC name is 1-chloro-3-[2-(2-chloro-4-propan-2-ylphenyl)propan-2-yl]-2-fluorobenzene.

Molecular Properties

Compound Name1-chloro-3-[2-(2-chloro-4-propan-2-ylphenyl)propan-2-yl]-2-fluorobenzene
PubChem CID138625473
Molecular FormulaC18H19Cl2F
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name1-chloro-3-[2-(2-chloro-4-propan-2-ylphenyl)propan-2-yl]-2-fluorobenzene
SMILESCC(C)c1ccc(C(C)(C)c2cccc(Cl)c2F)c(Cl)c1
InChIInChI=1S/C18H19Cl2F/c1-11(2)12-8-9-13(16(20)10-12)18(3,4)14-6-5-7-15(19)17(14)21/h5-11H,1-4H3
InChIKeyQETXWVBQMHNOHD-UHFFFAOYSA-N
XLogP6.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.25
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-chloro-1-[2-[3-fluoro-4-[2-(3-methoxyphenyl)propan-2-yl]phenyl]propan-2-yl]-4-propan-2-ylbenzene
CID 155461486
2-chloro-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene
CID 167218956
1-chloro-2-methyl-4-propan-2-ylbenzene;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene
CID 164997099
1-chloro-2-fluoro-5-propan-2-yl-3-(trifluoromethyl)benzene
CID 154959566
2-tert-butyl-1-chloro-4-propan-2-ylbenzene
CID 59135167
1-[bromo(difluoro)methyl]-3-chloro-2-fluorobenzene
CID 175127177
2-chloro-N-[2-(3-chloro-2-fluorophenyl)propan-2-yl]propanamide
CID 146098718
2-(2-chlorophenyl)-1-(4-propan-2-ylphenyl)propan-2-ol
CID 65145239
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
1-(2-phenylpropan-2-yl)-2,4-di(propan-2-yl)benzene
CID 170780571
2-(3-chloro-2-fluorophenyl)-2-fluoropropanoic acid
CID 171559889
2-(3-chloro-2-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 82805898

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[2-(2-chloro-4-propan-2-ylphenyl)propan-2-yl]-2-fluorobenzene?
The IUPAC name of 1-chloro-3-[2-(2-chloro-4-propan-2-ylphenyl)propan-2-yl]-2-fluorobenzene (CID 138625473) is 1-chloro-3-[2-(2-chloro-4-propan-2-ylphenyl)propan-2-yl]-2-fluorobenzene.
What is the SMILES notation for 1-chloro-3-[2-(2-chloro-4-propan-2-ylphenyl)propan-2-yl]-2-fluorobenzene?
The canonical SMILES for 1-chloro-3-[2-(2-chloro-4-propan-2-ylphenyl)propan-2-yl]-2-fluorobenzene is CC(C)c1ccc(C(C)(C)c2cccc(Cl)c2F)c(Cl)c1.
What is the InChIKey of 1-chloro-3-[2-(2-chloro-4-propan-2-ylphenyl)propan-2-yl]-2-fluorobenzene?
The InChIKey is QETXWVBQMHNOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2F/c1-11(2)12-8-9-13(16(20)10-12)18(3,4)14-6-5-7-15(19)17(14)21/h5-11H,1-4H3.
What are the key properties of 1-chloro-3-[2-(2-chloro-4-propan-2-ylphenyl)propan-2-yl]-2-fluorobenzene?
1-chloro-3-[2-(2-chloro-4-propan-2-ylphenyl)propan-2-yl]-2-fluorobenzene has a molecular weight of 325.25 g/mol, XLogP of 6.58, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[2-(2-chloro-4-propan-2-ylphenyl)propan-2-yl]-2-fluorobenzene is sourced from PubChem (CID 138625473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).