(2-bromo-1-fluoro-2-methylpropyl)benzene

C10H12BrF — CID 15668390

IUPAC(2-bromo-1-fluoro-2-methylpropyl)benzene
SMILESCC(C)(Br)C(F)c1ccccc1
InChIInChI=1S/C10H12BrF/c1-10(2,11)9(12)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKeyCWELNSPTRCPGKX-UHFFFAOYSA-N
MW231.11 g/mol
LogP3.87
Rot. Bonds2

About (2-bromo-1-fluoro-2-methylpropyl)benzene

(2-bromo-1-fluoro-2-methylpropyl)benzene (PubChem CID 15668390) has the molecular formula C10H12BrF and a molecular weight of 231.11 g/mol. Its IUPAC name is (2-bromo-1-fluoro-2-methylpropyl)benzene.

Molecular Properties

Compound Name(2-bromo-1-fluoro-2-methylpropyl)benzene
PubChem CID15668390
Molecular FormulaC10H12BrF
Molecular Weight231.11 g/mol
Exact Mass230.01
IUPAC Name(2-bromo-1-fluoro-2-methylpropyl)benzene
SMILESCC(C)(Br)C(F)c1ccccc1
InChIInChI=1S/C10H12BrF/c1-10(2,11)9(12)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKeyCWELNSPTRCPGKX-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.11
LogP ≤ 53.87
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

(1,3,3,3-tetrafluoro-2,2-dimethylpropyl)benzene
CID 139245434
(2R,3R)-2,3-difluoro-2-methyl-3-phenylpropanamide
CID 155931604
(2,2-dichloro-1,3,3,3-tetrafluoropropyl)benzene
CID 14687264
[fluoro(fluoro)methyl]benzene
CID 146164458
2-[fluoro(phenyl)methyl]-2-methylbutanamide
CID 66580068
(2-bromo-2-methyl-1-phenylpropyl)hydrazine
CID 53402491
CID 174377533
CID 174377533
3-fluorobutan-2-ylbenzene
CID 159211068
(1R,2R)-3,3-dimethyl-1-phenylbutane-1,2-diamine;dihydrochloride
CID 53487564
(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol
CID 100943216
copper;cumene;manganese
CID 175691003
1-bromoethylbenzene
CID 11454

Frequently Asked Questions

What is the IUPAC name of (2-bromo-1-fluoro-2-methylpropyl)benzene?
The IUPAC name of (2-bromo-1-fluoro-2-methylpropyl)benzene (CID 15668390) is (2-bromo-1-fluoro-2-methylpropyl)benzene.
What is the SMILES notation for (2-bromo-1-fluoro-2-methylpropyl)benzene?
The canonical SMILES for (2-bromo-1-fluoro-2-methylpropyl)benzene is CC(C)(Br)C(F)c1ccccc1.
What is the InChIKey of (2-bromo-1-fluoro-2-methylpropyl)benzene?
The InChIKey is CWELNSPTRCPGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF/c1-10(2,11)9(12)8-6-4-3-5-7-8/h3-7,9H,1-2H3.
What are the key properties of (2-bromo-1-fluoro-2-methylpropyl)benzene?
(2-bromo-1-fluoro-2-methylpropyl)benzene has a molecular weight of 231.11 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-1-fluoro-2-methylpropyl)benzene is sourced from PubChem (CID 15668390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).