2-bromo-1-cyclohexyl-2,2-difluoroethanol

C8H13BrF2O — CID 107140105

IUPAC2-bromo-1-cyclohexyl-2,2-difluoroethanol
SMILESOC(C1CCCCC1)C(F)(F)Br
InChIInChI=1S/C8H13BrF2O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h6-7,12H,1-5H2
InChIKeyGCAPRSOVGVNTEJ-UHFFFAOYSA-N
MW243.09 g/mol
LogP2.92
Rot. Bonds2

About 2-bromo-1-cyclohexyl-2,2-difluoroethanol

2-bromo-1-cyclohexyl-2,2-difluoroethanol (PubChem CID 107140105) has the molecular formula C8H13BrF2O and a molecular weight of 243.09 g/mol. Its IUPAC name is 2-bromo-1-cyclohexyl-2,2-difluoroethanol.

Molecular Properties

Compound Name2-bromo-1-cyclohexyl-2,2-difluoroethanol
PubChem CID107140105
Molecular FormulaC8H13BrF2O
Molecular Weight243.09 g/mol
Exact Mass242.01
IUPAC Name2-bromo-1-cyclohexyl-2,2-difluoroethanol
SMILESOC(C1CCCCC1)C(F)(F)Br
InChIInChI=1S/C8H13BrF2O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h6-7,12H,1-5H2
InChIKeyGCAPRSOVGVNTEJ-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-2,2,3,3,4,4,4-heptafluorobutan-1-ol
CID 154329934
3-cyclohexyl-2,2-difluoro-3-hydroxypropanoate
CID 164746791
3-amino-1-cycloheptyl-2,2-difluoropropan-1-ol
CID 105460342
ethyl (2S,3R)-2-bromo-3-cyclohexyl-2-fluoro-3-hydroxypropanoate
CID 11120034
3-cyclopentyl-2,2-difluoro-3-hydroxypropanoic acid
CID 62397462
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
1-cyclohexyl-2-(dimethylamino)-2-methylpropan-1-ol
CID 79046048
2-(benzenesulfonyl)-1-cyclohexyl-2,2-difluoroethanol
CID 19804783
(1S)-1-cyclopentyl-2,2,3,3-tetrafluoro-3-phenylpropan-1-ol;sulfane
CID 158003178
(1,3-dibromo-3,3-difluoropropyl)cyclohexane
CID 10519701
di(cyclohexadecyl)methylcyclohexadecane
CID 175406938
1-cyclohexyl-2-iodo-2,2-bis(trimethylsilyl)ethanol
CID 10501047

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-cyclohexyl-2,2-difluoroethanol?
The IUPAC name of 2-bromo-1-cyclohexyl-2,2-difluoroethanol (CID 107140105) is 2-bromo-1-cyclohexyl-2,2-difluoroethanol.
What is the SMILES notation for 2-bromo-1-cyclohexyl-2,2-difluoroethanol?
The canonical SMILES for 2-bromo-1-cyclohexyl-2,2-difluoroethanol is OC(C1CCCCC1)C(F)(F)Br.
What is the InChIKey of 2-bromo-1-cyclohexyl-2,2-difluoroethanol?
The InChIKey is GCAPRSOVGVNTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrF2O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h6-7,12H,1-5H2.
What are the key properties of 2-bromo-1-cyclohexyl-2,2-difluoroethanol?
2-bromo-1-cyclohexyl-2,2-difluoroethanol has a molecular weight of 243.09 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-cyclohexyl-2,2-difluoroethanol is sourced from PubChem (CID 107140105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).