3-[(3-bromo-2,6-difluorophenyl)methyl]cyclohexan-1-ol

C13H15BrF2O — CID 106273079

IUPAC3-[(3-bromo-2,6-difluorophenyl)methyl]cyclohexan-1-ol
SMILESOC1CCCC(Cc2c(F)ccc(Br)c2F)C1
InChIInChI=1S/C13H15BrF2O/c14-11-4-5-12(15)10(13(11)16)7-8-2-1-3-9(17)6-8/h4-5,8-9,17H,1-3,6-7H2
InChIKeyRWCUCDMXQAVIKM-UHFFFAOYSA-N
MW305.16 g/mol
LogP3.82
Rot. Bonds2

About 3-[(3-bromo-2,6-difluorophenyl)methyl]cyclohexan-1-ol

3-[(3-bromo-2,6-difluorophenyl)methyl]cyclohexan-1-ol (PubChem CID 106273079) has the molecular formula C13H15BrF2O and a molecular weight of 305.16 g/mol. Its IUPAC name is 3-[(3-bromo-2,6-difluorophenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(3-bromo-2,6-difluorophenyl)methyl]cyclohexan-1-ol
PubChem CID106273079
Molecular FormulaC13H15BrF2O
Molecular Weight305.16 g/mol
Exact Mass304.03
IUPAC Name3-[(3-bromo-2,6-difluorophenyl)methyl]cyclohexan-1-ol
SMILESOC1CCCC(Cc2c(F)ccc(Br)c2F)C1
InChIInChI=1S/C13H15BrF2O/c14-11-4-5-12(15)10(13(11)16)7-8-2-1-3-9(17)6-8/h4-5,8-9,17H,1-3,6-7H2
InChIKeyRWCUCDMXQAVIKM-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 53.82
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-(3-bromo-2,6-difluorophenyl)-3-cyclobutyl-2-methylpropan-2-ol
CID 106265631
1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-3-ol
CID 106268702
3-[(5-bromofuran-2-yl)methyl]cyclohexan-1-ol
CID 130835243
2-(3-bromo-2,6-difluorophenyl)-1-cyclobutylethanone
CID 106266083
3-[(2,5-difluorophenyl)methyl]cycloheptan-1-ol
CID 64515583
3-[[(3-bromo-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699874
1-bromo-3-(cyclobutyloxymethyl)-2,4-difluorobenzene
CID 106269971
3-[(4-fluorophenyl)methyl]cycloheptan-1-ol
CID 64514392
[1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-3-yl]methanol
CID 106268333
1-bromo-3-[(2-bromo-5-methylcyclohexyl)methyl]-2,4-difluorobenzene
CID 106270446
3-[(2-chloro-6-fluorophenyl)methyl]cyclopentan-1-ol
CID 64513208
2-[(3-bromo-2,6-difluorophenyl)methyl-cyclopentylamino]ethanol
CID 114166335

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-2,6-difluorophenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 3-[(3-bromo-2,6-difluorophenyl)methyl]cyclohexan-1-ol (CID 106273079) is 3-[(3-bromo-2,6-difluorophenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[(3-bromo-2,6-difluorophenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[(3-bromo-2,6-difluorophenyl)methyl]cyclohexan-1-ol is OC1CCCC(Cc2c(F)ccc(Br)c2F)C1.
What is the InChIKey of 3-[(3-bromo-2,6-difluorophenyl)methyl]cyclohexan-1-ol?
The InChIKey is RWCUCDMXQAVIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF2O/c14-11-4-5-12(15)10(13(11)16)7-8-2-1-3-9(17)6-8/h4-5,8-9,17H,1-3,6-7H2.
What are the key properties of 3-[(3-bromo-2,6-difluorophenyl)methyl]cyclohexan-1-ol?
3-[(3-bromo-2,6-difluorophenyl)methyl]cyclohexan-1-ol has a molecular weight of 305.16 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-2,6-difluorophenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 106273079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).