1-(3-bromo-2-fluorophenyl)-3,3,5,5-tetramethylcyclohexan-1-ol

C16H22BrFO — CID 106644568

IUPAC1-(3-bromo-2-fluorophenyl)-3,3,5,5-tetramethylcyclohexan-1-ol
SMILESCC1(C)CC(C)(C)CC(O)(c2cccc(Br)c2F)C1
InChIInChI=1S/C16H22BrFO/c1-14(2)8-15(3,4)10-16(19,9-14)11-6-5-7-12(17)13(11)18/h5-7,19H,8-10H2,1-4H3
InChIKeyCXWIRPKQVLNMQG-UHFFFAOYSA-N
MW329.25 g/mol
LogP5.01
Rot. Bonds1

About 1-(3-bromo-2-fluorophenyl)-3,3,5,5-tetramethylcyclohexan-1-ol

1-(3-bromo-2-fluorophenyl)-3,3,5,5-tetramethylcyclohexan-1-ol (PubChem CID 106644568) has the molecular formula C16H22BrFO and a molecular weight of 329.25 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-3,3,5,5-tetramethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-3,3,5,5-tetramethylcyclohexan-1-ol
PubChem CID106644568
Molecular FormulaC16H22BrFO
Molecular Weight329.25 g/mol
Exact Mass328.08
IUPAC Name1-(3-bromo-2-fluorophenyl)-3,3,5,5-tetramethylcyclohexan-1-ol
SMILESCC1(C)CC(C)(C)CC(O)(c2cccc(Br)c2F)C1
InChIInChI=1S/C16H22BrFO/c1-14(2)8-15(3,4)10-16(19,9-14)11-6-5-7-12(17)13(11)18/h5-7,19H,8-10H2,1-4H3
InChIKeyCXWIRPKQVLNMQG-UHFFFAOYSA-N
XLogP5.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.25
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-bromo-2-fluorophenyl)-3,3,5,5-tetramethylcyclohexan-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-(3-bromo-2-fluorophenyl)-4,4-dimethylcycloheptan-1-ol
CID 106644450
3-(3-bromo-2-fluorophenyl)azetidin-3-ol
CID 106644465
1-(3-bromo-2-fluorophenyl)-3-methylcyclohexan-1-ol
CID 106644257
1-(3-bromo-2-fluorophenyl)-4-propan-2-ylcycloheptan-1-ol
CID 106644452
1-(2-fluoro-3-methoxyphenyl)-3,3-dimethylcyclopentan-1-ol
CID 82805652
1-(2-fluoro-3-methylphenyl)cyclopropan-1-ol
CID 81477688
1-(2-amino-3-pyridinyl)-3,3,5,5-tetramethylcyclohexan-1-ol
CID 112682728
3-(3-bromo-2-fluorophenyl)-2-methylthian-3-ol
CID 106644484
3,3,5,5-tetramethyl-1-(2-propan-2-yloxyphenyl)cyclohexan-1-ol
CID 115999419
(1R)-1-(2-fluorophenyl)-3,3-dimethylcyclopentan-1-ol
CID 124512737
(2R)-2-(3-bromo-2-fluorophenyl)-2-methylmorpholine
CID 170319466
1-(3-bromo-2-fluoro-6-methylphenyl)cyclopropan-1-ol
CID 84802774

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-3,3,5,5-tetramethylcyclohexan-1-ol?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-3,3,5,5-tetramethylcyclohexan-1-ol (CID 106644568) is 1-(3-bromo-2-fluorophenyl)-3,3,5,5-tetramethylcyclohexan-1-ol.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-3,3,5,5-tetramethylcyclohexan-1-ol?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-3,3,5,5-tetramethylcyclohexan-1-ol is CC1(C)CC(C)(C)CC(O)(c2cccc(Br)c2F)C1.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-3,3,5,5-tetramethylcyclohexan-1-ol?
The InChIKey is CXWIRPKQVLNMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrFO/c1-14(2)8-15(3,4)10-16(19,9-14)11-6-5-7-12(17)13(11)18/h5-7,19H,8-10H2,1-4H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-3,3,5,5-tetramethylcyclohexan-1-ol?
1-(3-bromo-2-fluorophenyl)-3,3,5,5-tetramethylcyclohexan-1-ol has a molecular weight of 329.25 g/mol, XLogP of 5.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-3,3,5,5-tetramethylcyclohexan-1-ol is sourced from PubChem (CID 106644568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).