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

C10H12ClF — CID 89042386

IUPAC1-chloro-2-fluoro-5-methyl-4-propan-2-ylbenzene
SMILESCc1cc(Cl)c(F)cc1C(C)C
InChIInChI=1S/C10H12ClF/c1-6(2)8-5-10(12)9(11)4-7(8)3/h4-6H,1-3H3
InChIKeyOOZZRGXSFBHJGM-UHFFFAOYSA-N
MW186.66 g/mol
LogP3.91
Rot. Bonds1

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

1-chloro-2-fluoro-5-methyl-4-propan-2-ylbenzene (PubChem CID 89042386) has the molecular formula C10H12ClF and a molecular weight of 186.66 g/mol. Its IUPAC name is 1-chloro-2-fluoro-5-methyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-5-methyl-4-propan-2-ylbenzene
PubChem CID89042386
Molecular FormulaC10H12ClF
Molecular Weight186.66 g/mol
Exact Mass186.06
IUPAC Name1-chloro-2-fluoro-5-methyl-4-propan-2-ylbenzene
SMILESCc1cc(Cl)c(F)cc1C(C)C
InChIInChI=1S/C10H12ClF/c1-6(2)8-5-10(12)9(11)4-7(8)3/h4-6H,1-3H3
InChIKeyOOZZRGXSFBHJGM-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-5-fluoro-4-methyl-2-propan-2-ylbenzene
CID 59135078
2-chloro-4-methyl-5-propan-2-ylphenol
CID 154092490
1-chloro-2,4-difluoro-5-methylbenzene
CID 58691509
1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanol
CID 84785782
1-chloro-2,5-difluoro-4-methylbenzene;1-chloro-2,3-difluoro-4-propan-2-ylbenzene;ethane
CID 166123385
1-(bromomethyl)-4-chloro-5-fluoro-2-methylbenzene
CID 130777933
1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]-2,5-difluorobenzene
CID 82771221
1-butan-2-yl-2,4-dichloro-5-fluorobenzene
CID 118487381
(1R)-1-(4-chloro-2,5-difluorophenyl)-2-methylpropan-1-amine
CID 130706083
1-amino-1-(2-chloro-5-fluoro-4-methylphenyl)propan-2-ol
CID 116859639
1-chloro-4-fluoro-2-propan-2-yl-5-(trifluoromethyl)benzene
CID 166584137
(1R)-1-(2-bromo-4-chloro-5-fluorophenyl)ethanol
CID 58572415

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-5-methyl-4-propan-2-ylbenzene?
The IUPAC name of 1-chloro-2-fluoro-5-methyl-4-propan-2-ylbenzene (CID 89042386) is 1-chloro-2-fluoro-5-methyl-4-propan-2-ylbenzene.
What is the SMILES notation for 1-chloro-2-fluoro-5-methyl-4-propan-2-ylbenzene?
The canonical SMILES for 1-chloro-2-fluoro-5-methyl-4-propan-2-ylbenzene is Cc1cc(Cl)c(F)cc1C(C)C.
What is the InChIKey of 1-chloro-2-fluoro-5-methyl-4-propan-2-ylbenzene?
The InChIKey is OOZZRGXSFBHJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF/c1-6(2)8-5-10(12)9(11)4-7(8)3/h4-6H,1-3H3.
What are the key properties of 1-chloro-2-fluoro-5-methyl-4-propan-2-ylbenzene?
1-chloro-2-fluoro-5-methyl-4-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-2-fluoro-5-methyl-4-propan-2-ylbenzene is sourced from PubChem (CID 89042386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).