1-chloro-5-fluoro-4-methyl-2-propan-2-ylbenzene

C10H12ClF — CID 59135078

IUPAC1-chloro-5-fluoro-4-methyl-2-propan-2-ylbenzene
SMILESCc1cc(C(C)C)c(Cl)cc1F
InChIInChI=1S/C10H12ClF/c1-6(2)8-4-7(3)10(12)5-9(8)11/h4-6H,1-3H3
InChIKeyWNYBDENZDTUFOL-UHFFFAOYSA-N
MW186.66 g/mol
LogP3.91
Rot. Bonds1

About 1-chloro-5-fluoro-4-methyl-2-propan-2-ylbenzene

1-chloro-5-fluoro-4-methyl-2-propan-2-ylbenzene (PubChem CID 59135078) has the molecular formula C10H12ClF and a molecular weight of 186.66 g/mol. Its IUPAC name is 1-chloro-5-fluoro-4-methyl-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-chloro-5-fluoro-4-methyl-2-propan-2-ylbenzene
PubChem CID59135078
Molecular FormulaC10H12ClF
Molecular Weight186.66 g/mol
Exact Mass186.06
IUPAC Name1-chloro-5-fluoro-4-methyl-2-propan-2-ylbenzene
SMILESCc1cc(C(C)C)c(Cl)cc1F
InChIInChI=1S/C10H12ClF/c1-6(2)8-4-7(3)10(12)5-9(8)11/h4-6H,1-3H3
InChIKeyWNYBDENZDTUFOL-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.66
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-2-(1-chloro-3-methylbutyl)-5-fluoro-4-methylbenzene
CID 81050654
1-(2-chloro-4-fluoro-5-methylphenyl)-2,2-difluoroethanol
CID 104632767
1-(2-chloro-4-fluoro-5-methylphenyl)-N-ethylethanamine
CID 81045762
1-(2-chloro-4-fluoro-5-methylphenyl)-3-methylbutan-1-ol
CID 81045782
1-chloro-2-(1-chloro-2,2-difluoropropyl)-5-fluoro-4-methylbenzene
CID 130758085
1-(2-chloro-4-fluoro-5-methylphenyl)propan-1-ol
CID 81045937
1-chloro-2-fluoro-5-methyl-4-propan-2-ylbenzene
CID 89042386
1-chloro-2,5-difluoro-4-methylbenzene;1-chloro-2,3-difluoro-4-propan-2-ylbenzene;ethane
CID 166123385
1-chloro-2-[chloro-(3,5-dichlorophenyl)methyl]-5-fluoro-4-methylbenzene
CID 81050504
(2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol
CID 81045704
1-chloro-4-ethynyl-5-fluoro-2-propan-2-ylbenzene
CID 170270449
(2-chloro-4-fluoro-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 81045779

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-fluoro-4-methyl-2-propan-2-ylbenzene?
The IUPAC name of 1-chloro-5-fluoro-4-methyl-2-propan-2-ylbenzene (CID 59135078) is 1-chloro-5-fluoro-4-methyl-2-propan-2-ylbenzene.
What is the SMILES notation for 1-chloro-5-fluoro-4-methyl-2-propan-2-ylbenzene?
The canonical SMILES for 1-chloro-5-fluoro-4-methyl-2-propan-2-ylbenzene is Cc1cc(C(C)C)c(Cl)cc1F.
What is the InChIKey of 1-chloro-5-fluoro-4-methyl-2-propan-2-ylbenzene?
The InChIKey is WNYBDENZDTUFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF/c1-6(2)8-4-7(3)10(12)5-9(8)11/h4-6H,1-3H3.
What are the key properties of 1-chloro-5-fluoro-4-methyl-2-propan-2-ylbenzene?
1-chloro-5-fluoro-4-methyl-2-propan-2-ylbenzene has a molecular weight of 186.66 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-fluoro-4-methyl-2-propan-2-ylbenzene is sourced from PubChem (CID 59135078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).