1-[4-bromo-2-(trifluoromethyl)phenyl]-2-methylcyclopropan-1-ol

C11H10BrF3O — CID 107333478

IUPAC1-[4-bromo-2-(trifluoromethyl)phenyl]-2-methylcyclopropan-1-ol
SMILESCC1CC1(O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C11H10BrF3O/c1-6-5-10(6,16)8-3-2-7(12)4-9(8)11(13,14)15/h2-4,6,16H,5H2,1H3
InChIKeyJKGCGDIGPMLRAC-UHFFFAOYSA-N
MW295.10 g/mol
LogP3.70
Rot. Bonds1

About 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-methylcyclopropan-1-ol

1-[4-bromo-2-(trifluoromethyl)phenyl]-2-methylcyclopropan-1-ol (PubChem CID 107333478) has the molecular formula C11H10BrF3O and a molecular weight of 295.10 g/mol. Its IUPAC name is 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-methylcyclopropan-1-ol.

Molecular Properties

Compound Name1-[4-bromo-2-(trifluoromethyl)phenyl]-2-methylcyclopropan-1-ol
PubChem CID107333478
Molecular FormulaC11H10BrF3O
Molecular Weight295.10 g/mol
Exact Mass293.99
IUPAC Name1-[4-bromo-2-(trifluoromethyl)phenyl]-2-methylcyclopropan-1-ol
SMILESCC1CC1(O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C11H10BrF3O/c1-6-5-10(6,16)8-3-2-7(12)4-9(8)11(13,14)15/h2-4,6,16H,5H2,1H3
InChIKeyJKGCGDIGPMLRAC-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.10
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-methylcyclopropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dibromophenyl)-2-methylcyclopropan-1-ol
CID 114375506
[4-bromo-2-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanol
CID 64776028
4-bromo-2-(trifluoromethyl)benzenesulfinic acid
CID 50998733
3-[4-bromo-2-(trifluoromethyl)phenyl]-N-tert-butyl-1,2,4-oxadiazol-5-amine
CID 63511106
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperidin-4-ol
CID 114680873
4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methyl-1,3,5-triazin-2-amine
CID 63868448
2,5-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol
CID 102707348
3-[4-bromo-2-(trifluoromethyl)anilino]-2,2-dimethylcyclobutan-1-ol
CID 112633741
[4-bromo-2-(trifluoromethyl)phenyl]-(4,4-dimethylpiperidin-1-yl)methanone
CID 107332906
5-bromo-1-[bromo(difluoro)methyl]-2,3-dihydroinden-1-ol
CID 107140447
4-bromo-1-isocyano-2-(trifluoromethyl)benzene
CID 66524052
2-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110031837

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-methylcyclopropan-1-ol?
The IUPAC name of 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-methylcyclopropan-1-ol (CID 107333478) is 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-methylcyclopropan-1-ol.
What is the SMILES notation for 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-methylcyclopropan-1-ol?
The canonical SMILES for 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-methylcyclopropan-1-ol is CC1CC1(O)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-methylcyclopropan-1-ol?
The InChIKey is JKGCGDIGPMLRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3O/c1-6-5-10(6,16)8-3-2-7(12)4-9(8)11(13,14)15/h2-4,6,16H,5H2,1H3.
What are the key properties of 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-methylcyclopropan-1-ol?
1-[4-bromo-2-(trifluoromethyl)phenyl]-2-methylcyclopropan-1-ol has a molecular weight of 295.10 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(trifluoromethyl)phenyl]-2-methylcyclopropan-1-ol is sourced from PubChem (CID 107333478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).