1-(4-bromo-2,5-difluorophenyl)-2-cyclobutylethanol

C12H13BrF2O — CID 103165469

IUPAC1-(4-bromo-2,5-difluorophenyl)-2-cyclobutylethanol
SMILESOC(CC1CCC1)c1cc(F)c(Br)cc1F
InChIInChI=1S/C12H13BrF2O/c13-9-6-10(14)8(5-11(9)15)12(16)4-7-2-1-3-7/h5-7,12,16H,1-4H2
InChIKeyKWVGSXCOBOXPDO-UHFFFAOYSA-N
MW291.13 g/mol
LogP3.95
Rot. Bonds3

About 1-(4-bromo-2,5-difluorophenyl)-2-cyclobutylethanol

1-(4-bromo-2,5-difluorophenyl)-2-cyclobutylethanol (PubChem CID 103165469) has the molecular formula C12H13BrF2O and a molecular weight of 291.13 g/mol. Its IUPAC name is 1-(4-bromo-2,5-difluorophenyl)-2-cyclobutylethanol.

Molecular Properties

Compound Name1-(4-bromo-2,5-difluorophenyl)-2-cyclobutylethanol
PubChem CID103165469
Molecular FormulaC12H13BrF2O
Molecular Weight291.13 g/mol
Exact Mass290.01
IUPAC Name1-(4-bromo-2,5-difluorophenyl)-2-cyclobutylethanol
SMILESOC(CC1CCC1)c1cc(F)c(Br)cc1F
InChIInChI=1S/C12H13BrF2O/c13-9-6-10(14)8(5-11(9)15)12(16)4-7-2-1-3-7/h5-7,12,16H,1-4H2
InChIKeyKWVGSXCOBOXPDO-UHFFFAOYSA-N
XLogP3.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-bromo-4-(1-bromo-2-cyclobutylethyl)-2,5-difluorobenzene
CID 103165898
[2-bromo-2-(4-bromo-2,5-difluorophenyl)ethyl]cycloheptane
CID 114458768
1-(3-bromo-4-fluorophenyl)-2-cyclobutylethanol
CID 82809898
1-(2-chloro-4,5-difluorophenyl)-2-cyclobutylethanol
CID 107477114
2-cyclopentyl-1-(2,5-difluorophenyl)ethanol
CID 61101489
2-cyclobutyl-1-(2-fluorophenyl)ethanol
CID 65458117
1-(2-bromo-4-methoxyphenyl)-2-cyclobutylethanol
CID 103165431
1-(4-bromo-2,5-difluorophenyl)-2-cycloheptyl-N-ethylethanamine
CID 114457690
1-(4-chloro-2-fluorophenyl)-2-cyclohexylethanol
CID 63083124
1-(4-bromo-2,5-difluoroanilino)-3-cyclopentylpropan-2-ol
CID 107611038
1-bromo-4-(1-bromo-2-cyclobutylethyl)-2-chloro-5-fluorobenzene
CID 103166063
1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanol
CID 66156275

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-difluorophenyl)-2-cyclobutylethanol?
The IUPAC name of 1-(4-bromo-2,5-difluorophenyl)-2-cyclobutylethanol (CID 103165469) is 1-(4-bromo-2,5-difluorophenyl)-2-cyclobutylethanol.
What is the SMILES notation for 1-(4-bromo-2,5-difluorophenyl)-2-cyclobutylethanol?
The canonical SMILES for 1-(4-bromo-2,5-difluorophenyl)-2-cyclobutylethanol is OC(CC1CCC1)c1cc(F)c(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2,5-difluorophenyl)-2-cyclobutylethanol?
The InChIKey is KWVGSXCOBOXPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF2O/c13-9-6-10(14)8(5-11(9)15)12(16)4-7-2-1-3-7/h5-7,12,16H,1-4H2.
What are the key properties of 1-(4-bromo-2,5-difluorophenyl)-2-cyclobutylethanol?
1-(4-bromo-2,5-difluorophenyl)-2-cyclobutylethanol has a molecular weight of 291.13 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-difluorophenyl)-2-cyclobutylethanol is sourced from PubChem (CID 103165469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).