1-(bromomethyl)-4-fluorobenzene;2,2-difluoropropane

C10H12BrF3 — CID 160651614

IUPAC1-(bromomethyl)-4-fluorobenzene;2,2-difluoropropane
SMILESCC(C)(F)F.Fc1ccc(CBr)cc1
InChIInChI=1S/C7H6BrF.C3H6F2/c8-5-6-1-3-7(9)4-2-6;1-3(2,4)5/h1-4H,5H2;1-2H3
InChIKeyRKMPOHIGGYTXDC-UHFFFAOYSA-N
MW269.10 g/mol
LogP4.38
Rot. Bonds1

About 1-(bromomethyl)-4-fluorobenzene;2,2-difluoropropane

1-(bromomethyl)-4-fluorobenzene;2,2-difluoropropane (PubChem CID 160651614) has the molecular formula C10H12BrF3 and a molecular weight of 269.10 g/mol. Its IUPAC name is 1-(bromomethyl)-4-fluorobenzene;2,2-difluoropropane.

Molecular Properties

Compound Name1-(bromomethyl)-4-fluorobenzene;2,2-difluoropropane
PubChem CID160651614
Molecular FormulaC10H12BrF3
Molecular Weight269.10 g/mol
Exact Mass268.01
IUPAC Name1-(bromomethyl)-4-fluorobenzene;2,2-difluoropropane
SMILESCC(C)(F)F.Fc1ccc(CBr)cc1
InChIInChI=1S/C7H6BrF.C3H6F2/c8-5-6-1-3-7(9)4-2-6;1-3(2,4)5/h1-4H,5H2;1-2H3
InChIKeyRKMPOHIGGYTXDC-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 54.38
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

magnesium;1-(bromomethyl)-4-fluorobenzene;hydride
CID 173010719
1-(2,2-dimethylbutyl)-4-fluorobenzene;ethane
CID 143051679
ethane;(4-fluorophenyl)methanamine
CID 142071105
1-(bromomethyl)-3-fluorobenzene;ethane
CID 90998374
1-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 114833903
1-[2-(bromomethyl)-2-methylpentyl]-4-fluorobenzene
CID 66049999
2-bromo-4-(bromomethyl)-1-(1,1-difluoroethyl)benzene
CID 143059418
4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;ethane
CID 155731469
N-(bromomethyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 115261999
tert-butyl-[(4-fluorophenyl)methyl]azanium
CID 4921933
1-(4-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 22597146
1-(bromomethyl)-4-methylsulfanylbenzene
CID 11367930

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4-fluorobenzene;2,2-difluoropropane?
The IUPAC name of 1-(bromomethyl)-4-fluorobenzene;2,2-difluoropropane (CID 160651614) is 1-(bromomethyl)-4-fluorobenzene;2,2-difluoropropane.
What is the SMILES notation for 1-(bromomethyl)-4-fluorobenzene;2,2-difluoropropane?
The canonical SMILES for 1-(bromomethyl)-4-fluorobenzene;2,2-difluoropropane is CC(C)(F)F.Fc1ccc(CBr)cc1.
What is the InChIKey of 1-(bromomethyl)-4-fluorobenzene;2,2-difluoropropane?
The InChIKey is RKMPOHIGGYTXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF.C3H6F2/c8-5-6-1-3-7(9)4-2-6;1-3(2,4)5/h1-4H,5H2;1-2H3.
What are the key properties of 1-(bromomethyl)-4-fluorobenzene;2,2-difluoropropane?
1-(bromomethyl)-4-fluorobenzene;2,2-difluoropropane has a molecular weight of 269.10 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4-fluorobenzene;2,2-difluoropropane is sourced from PubChem (CID 160651614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).