1-(1-chloro-3-methylbutan-2-yl)-2-fluorobenzene

C11H14ClF — CID 79019767

IUPAC1-(1-chloro-3-methylbutan-2-yl)-2-fluorobenzene
SMILESCC(C)C(CCl)c1ccccc1F
InChIInChI=1S/C11H14ClF/c1-8(2)10(7-12)9-5-3-4-6-11(9)13/h3-6,8,10H,7H2,1-2H3
InChIKeyVHRIPKJUVBXSPX-UHFFFAOYSA-N
MW200.68 g/mol
LogP3.80
Rot. Bonds3

About 1-(1-chloro-3-methylbutan-2-yl)-2-fluorobenzene

1-(1-chloro-3-methylbutan-2-yl)-2-fluorobenzene (PubChem CID 79019767) has the molecular formula C11H14ClF and a molecular weight of 200.68 g/mol. Its IUPAC name is 1-(1-chloro-3-methylbutan-2-yl)-2-fluorobenzene.

Molecular Properties

Compound Name1-(1-chloro-3-methylbutan-2-yl)-2-fluorobenzene
PubChem CID79019767
Molecular FormulaC11H14ClF
Molecular Weight200.68 g/mol
Exact Mass200.08
IUPAC Name1-(1-chloro-3-methylbutan-2-yl)-2-fluorobenzene
SMILESCC(C)C(CCl)c1ccccc1F
InChIInChI=1S/C11H14ClF/c1-8(2)10(7-12)9-5-3-4-6-11(9)13/h3-6,8,10H,7H2,1-2H3
InChIKeyVHRIPKJUVBXSPX-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.68
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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CID 82076064
2-(2-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
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(1S)-2-chloro-1-(2-fluorophenyl)ethanol
CID 83001661
1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene
CID 138464950
1-(1-chloro-4-methylhexan-2-yl)-2-fluorobenzene
CID 79454381
4-(2-fluorophenyl)-N,2-dimethylhexan-3-amine
CID 112680293
1-[2-(2-fluorophenyl)-3-methylbutyl]piperazine
CID 82131506
1-[bromo-(2-fluorophenyl)methyl]-2-fluorobenzene
CID 22565374
1-[(2S)-1,1-difluoropropan-2-yl]-2-fluorobenzene
CID 126565772
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320
1-(3-bromohexan-2-yl)-2-fluorobenzene
CID 83051782
1-[2-(chloromethyl)-3-methylbutyl]-2-fluorobenzene
CID 66036123

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-3-methylbutan-2-yl)-2-fluorobenzene?
The IUPAC name of 1-(1-chloro-3-methylbutan-2-yl)-2-fluorobenzene (CID 79019767) is 1-(1-chloro-3-methylbutan-2-yl)-2-fluorobenzene.
What is the SMILES notation for 1-(1-chloro-3-methylbutan-2-yl)-2-fluorobenzene?
The canonical SMILES for 1-(1-chloro-3-methylbutan-2-yl)-2-fluorobenzene is CC(C)C(CCl)c1ccccc1F.
What is the InChIKey of 1-(1-chloro-3-methylbutan-2-yl)-2-fluorobenzene?
The InChIKey is VHRIPKJUVBXSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF/c1-8(2)10(7-12)9-5-3-4-6-11(9)13/h3-6,8,10H,7H2,1-2H3.
What are the key properties of 1-(1-chloro-3-methylbutan-2-yl)-2-fluorobenzene?
1-(1-chloro-3-methylbutan-2-yl)-2-fluorobenzene has a molecular weight of 200.68 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-3-methylbutan-2-yl)-2-fluorobenzene is sourced from PubChem (CID 79019767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).