2-fluoro-4-methyl-1-(2-methylpropyl)benzene

C11H15F — CID 59283432

IUPAC2-fluoro-4-methyl-1-(2-methylpropyl)benzene
SMILESCc1ccc(CC(C)C)c(F)c1
InChIInChI=1S/C11H15F/c1-8(2)6-10-5-4-9(3)7-11(10)12/h4-5,7-8H,6H2,1-3H3
InChIKeyGMIQNORUZPDUCJ-UHFFFAOYSA-N
MW166.24 g/mol
LogP3.33
Rot. Bonds2

About 2-fluoro-4-methyl-1-(2-methylpropyl)benzene

2-fluoro-4-methyl-1-(2-methylpropyl)benzene (PubChem CID 59283432) has the molecular formula C11H15F and a molecular weight of 166.24 g/mol. Its IUPAC name is 2-fluoro-4-methyl-1-(2-methylpropyl)benzene.

Molecular Properties

Compound Name2-fluoro-4-methyl-1-(2-methylpropyl)benzene
PubChem CID59283432
Molecular FormulaC11H15F
Molecular Weight166.24 g/mol
Exact Mass166.12
IUPAC Name2-fluoro-4-methyl-1-(2-methylpropyl)benzene
SMILESCc1ccc(CC(C)C)c(F)c1
InChIInChI=1S/C11H15F/c1-8(2)6-10-5-4-9(3)7-11(10)12/h4-5,7-8H,6H2,1-3H3
InChIKeyGMIQNORUZPDUCJ-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-difluoro-2-methyl-5-(2-methylpropyl)benzene
CID 134572668
1-(2-fluoro-4-methylphenyl)-2-methylheptan-4-one
CID 83925746
2-bromo-1-(2-fluoro-4-methylphenyl)-4,4-dimethylpentan-3-one
CID 55071639
2-fluoro-4-methyl-1-[(4-propan-2-ylphenyl)methyl]benzene
CID 165003126
methyl (2S)-2-amino-3-(2-fluoro-4-methylphenyl)propanoate;hydrochloride
CID 146160453
2-ethoxy-4-methyl-1-(2-methylpropyl)benzene
CID 118359593
O-[(2-fluoro-4-methylphenyl)methyl]hydroxylamine
CID 117276043
2,4-difluoro-1-(2-methylpropyl)benzene;ethane;5-ethyl-1,2,3-trifluorobenzene
CID 156727058
1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine
CID 112631075
4-(2-fluoro-4-methylphenyl)butanenitrile
CID 83925764
1-fluoro-2,4-dimethyl-5-(2-methylpropyl)benzene
CID 160613848
N-[(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 61033995

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-1-(2-methylpropyl)benzene?
The IUPAC name of 2-fluoro-4-methyl-1-(2-methylpropyl)benzene (CID 59283432) is 2-fluoro-4-methyl-1-(2-methylpropyl)benzene.
What is the SMILES notation for 2-fluoro-4-methyl-1-(2-methylpropyl)benzene?
The canonical SMILES for 2-fluoro-4-methyl-1-(2-methylpropyl)benzene is Cc1ccc(CC(C)C)c(F)c1.
What is the InChIKey of 2-fluoro-4-methyl-1-(2-methylpropyl)benzene?
The InChIKey is GMIQNORUZPDUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F/c1-8(2)6-10-5-4-9(3)7-11(10)12/h4-5,7-8H,6H2,1-3H3.
What are the key properties of 2-fluoro-4-methyl-1-(2-methylpropyl)benzene?
2-fluoro-4-methyl-1-(2-methylpropyl)benzene has a molecular weight of 166.24 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-1-(2-methylpropyl)benzene is sourced from PubChem (CID 59283432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).