1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene

C11H15F — CID 138464950

IUPAC1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene
SMILESCC(C)[C@@H](C)c1ccccc1F
InChIInChI=1S/C11H15F/c1-8(2)9(3)10-6-4-5-7-11(10)12/h4-9H,1-3H3/t9-/m1/s1
InChIKeyOTSNOOCADZGJTC-SECBINFHSA-N
MW166.24 g/mol
LogP3.59
Rot. Bonds2

About 1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene

1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene (PubChem CID 138464950) has the molecular formula C11H15F and a molecular weight of 166.24 g/mol. Its IUPAC name is 1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene.

Molecular Properties

Compound Name1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene
PubChem CID138464950
Molecular FormulaC11H15F
Molecular Weight166.24 g/mol
Exact Mass166.12
IUPAC Name1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene
SMILESCC(C)[C@@H](C)c1ccccc1F
InChIInChI=1S/C11H15F/c1-8(2)9(3)10-6-4-5-7-11(10)12/h4-9H,1-3H3/t9-/m1/s1
InChIKeyOTSNOOCADZGJTC-SECBINFHSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
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3-(2-fluorophenyl)-N,2-dimethylbutan-1-amine
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1-fluoro-2-(1-methyltellanylethyl)benzene
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(1S,2S)-1-(2-fluorophenyl)propane-1,2-diol
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2-(2-fluorophenyl)-3-methylbutanoic acid
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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene?
The IUPAC name of 1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene (CID 138464950) is 1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene.
What is the SMILES notation for 1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene?
The canonical SMILES for 1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene is CC(C)[C@@H](C)c1ccccc1F.
What is the InChIKey of 1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene?
The InChIKey is OTSNOOCADZGJTC-SECBINFHSA-N. The full InChI is InChI=1S/C11H15F/c1-8(2)9(3)10-6-4-5-7-11(10)12/h4-9H,1-3H3/t9-/m1/s1.
What are the key properties of 1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene?
1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene has a molecular weight of 166.24 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene is sourced from PubChem (CID 138464950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).