1,4-difluoro-2-methyl-5-(2-methylpropyl)benzene

C11H14F2 — CID 134572668

IUPAC1,4-difluoro-2-methyl-5-(2-methylpropyl)benzene
SMILESCc1cc(F)c(CC(C)C)cc1F
InChIInChI=1S/C11H14F2/c1-7(2)4-9-6-10(12)8(3)5-11(9)13/h5-7H,4H2,1-3H3
InChIKeySSRQBBZIKZFQIP-UHFFFAOYSA-N
MW184.23 g/mol
LogP3.47
Rot. Bonds2

About 1,4-difluoro-2-methyl-5-(2-methylpropyl)benzene

1,4-difluoro-2-methyl-5-(2-methylpropyl)benzene (PubChem CID 134572668) has the molecular formula C11H14F2 and a molecular weight of 184.23 g/mol. Its IUPAC name is 1,4-difluoro-2-methyl-5-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1,4-difluoro-2-methyl-5-(2-methylpropyl)benzene
PubChem CID134572668
Molecular FormulaC11H14F2
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name1,4-difluoro-2-methyl-5-(2-methylpropyl)benzene
SMILESCc1cc(F)c(CC(C)C)cc1F
InChIInChI=1S/C11H14F2/c1-7(2)4-9-6-10(12)8(3)5-11(9)13/h5-7H,4H2,1-3H3
InChIKeySSRQBBZIKZFQIP-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-2,4-dimethyl-5-(2-methylpropyl)benzene
CID 160613848
2-fluoro-4-methyl-1-(2-methylpropyl)benzene
CID 59283432
1-fluoro-4,5-dimethyl-2-[(Z)-2-methylpent-3-enyl]benzene
CID 83931670
1-(5-bromo-2-fluoro-4-methylphenyl)propan-2-ol
CID 117369420
1-(5-chloro-2-fluoro-4-methylphenyl)propan-2-amine
CID 117290515
1,2,4-trimethyl-5-(2-methylpropyl)benzene
CID 22968949
1,4-difluoro-2-methyl-5-pentylbenzene
CID 58718854
3-(2,5-difluoro-4-methylphenyl)propan-1-ol
CID 117280446
3-(5-fluoro-2,4-dimethylphenyl)-2-methylpropanoic acid
CID 84781211
1-fluoro-4,5-dimethyl-2-(2-methylhex-3-ynyl)benzene
CID 83931656
8-[1-(2,5-difluoro-4-methylphenyl)propan-2-yl]-1,4-dioxaspiro[4.5]dec-7-ene
CID 126545333
1-(2,4-difluoro-5-methylphenyl)-3-methylbutan-1-amine
CID 79724390

Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-2-methyl-5-(2-methylpropyl)benzene?
The IUPAC name of 1,4-difluoro-2-methyl-5-(2-methylpropyl)benzene (CID 134572668) is 1,4-difluoro-2-methyl-5-(2-methylpropyl)benzene.
What is the SMILES notation for 1,4-difluoro-2-methyl-5-(2-methylpropyl)benzene?
The canonical SMILES for 1,4-difluoro-2-methyl-5-(2-methylpropyl)benzene is Cc1cc(F)c(CC(C)C)cc1F.
What is the InChIKey of 1,4-difluoro-2-methyl-5-(2-methylpropyl)benzene?
The InChIKey is SSRQBBZIKZFQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2/c1-7(2)4-9-6-10(12)8(3)5-11(9)13/h5-7H,4H2,1-3H3.
What are the key properties of 1,4-difluoro-2-methyl-5-(2-methylpropyl)benzene?
1,4-difluoro-2-methyl-5-(2-methylpropyl)benzene has a molecular weight of 184.23 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-2-methyl-5-(2-methylpropyl)benzene is sourced from PubChem (CID 134572668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).