2-[(4-bromo-2-fluorophenyl)methylidene]-3-methylbutan-1-ol

C12H14BrFO — CID 79334653

IUPAC2-[(4-bromo-2-fluorophenyl)methylidene]-3-methylbutan-1-ol
SMILESCC(C)C(=Cc1ccc(Br)cc1F)CO
InChIInChI=1S/C12H14BrFO/c1-8(2)10(7-15)5-9-3-4-11(13)6-12(9)14/h3-6,8,15H,7H2,1-2H3
InChIKeyFZRJHZCVNALERL-UHFFFAOYSA-N
MW273.14 g/mol
LogP3.62
Rot. Bonds3

About 2-[(4-bromo-2-fluorophenyl)methylidene]-3-methylbutan-1-ol

2-[(4-bromo-2-fluorophenyl)methylidene]-3-methylbutan-1-ol (PubChem CID 79334653) has the molecular formula C12H14BrFO and a molecular weight of 273.14 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenyl)methylidene]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenyl)methylidene]-3-methylbutan-1-ol
PubChem CID79334653
Molecular FormulaC12H14BrFO
Molecular Weight273.14 g/mol
Exact Mass272.02
IUPAC Name2-[(4-bromo-2-fluorophenyl)methylidene]-3-methylbutan-1-ol
SMILESCC(C)C(=Cc1ccc(Br)cc1F)CO
InChIInChI=1S/C12H14BrFO/c1-8(2)10(7-15)5-9-3-4-11(13)6-12(9)14/h3-6,8,15H,7H2,1-2H3
InChIKeyFZRJHZCVNALERL-UHFFFAOYSA-N
XLogP3.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.14
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,5-difluorophenyl)methylidene]-3-methylbutan-1-ol
CID 79334533
4-bromo-1-(3-bromo-2-methylprop-1-enyl)-2-fluorobenzene
CID 79321674
(E)-4-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylbut-3-en-2-amine
CID 103093212
4-bromo-2-fluoro-1-(2-nitrobut-1-enyl)benzene
CID 76912988
(E)-4-(4-bromo-2-fluorophenyl)but-3-en-2-ol
CID 103971130
(E)-4-(4-bromo-2-fluorophenyl)-N-ethylbut-3-en-2-amine
CID 103092280
4-bromo-1-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2-fluorobenzene
CID 141487041
2-[(2,4-difluorophenyl)methylidene]-N,3-dimethylbutan-1-amine
CID 79339685
4-bromo-1-[(Z)-but-1-enyl]-2-fluorobenzene
CID 58961640
4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092
(1S)-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol
CID 129371245
2-(5-bromo-2-fluorophenyl)propan-1-ol
CID 82972861

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorophenyl)methylidene]-3-methylbutan-1-ol?
The IUPAC name of 2-[(4-bromo-2-fluorophenyl)methylidene]-3-methylbutan-1-ol (CID 79334653) is 2-[(4-bromo-2-fluorophenyl)methylidene]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenyl)methylidene]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(4-bromo-2-fluorophenyl)methylidene]-3-methylbutan-1-ol is CC(C)C(=Cc1ccc(Br)cc1F)CO.
What is the InChIKey of 2-[(4-bromo-2-fluorophenyl)methylidene]-3-methylbutan-1-ol?
The InChIKey is FZRJHZCVNALERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFO/c1-8(2)10(7-15)5-9-3-4-11(13)6-12(9)14/h3-6,8,15H,7H2,1-2H3.
What are the key properties of 2-[(4-bromo-2-fluorophenyl)methylidene]-3-methylbutan-1-ol?
2-[(4-bromo-2-fluorophenyl)methylidene]-3-methylbutan-1-ol has a molecular weight of 273.14 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorophenyl)methylidene]-3-methylbutan-1-ol is sourced from PubChem (CID 79334653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).