1-[bromo(difluoro)methyl]-4,4-difluorocyclohexan-1-ol

C7H9BrF4O — CID 164651145

IUPAC1-[bromo(difluoro)methyl]-4,4-difluorocyclohexan-1-ol
SMILESOC1(C(F)(F)Br)CCC(F)(F)CC1
InChIInChI=1S/C7H9BrF4O/c8-7(11,12)5(13)1-3-6(9,10)4-2-5/h13H,1-4H2
InChIKeyJCRJJXZTQGBGTP-UHFFFAOYSA-N
MW265.04 g/mol
LogP2.91
Rot. Bonds1

About 1-[bromo(difluoro)methyl]-4,4-difluorocyclohexan-1-ol

1-[bromo(difluoro)methyl]-4,4-difluorocyclohexan-1-ol (PubChem CID 164651145) has the molecular formula C7H9BrF4O and a molecular weight of 265.04 g/mol. Its IUPAC name is 1-[bromo(difluoro)methyl]-4,4-difluorocyclohexan-1-ol.

Molecular Properties

Compound Name1-[bromo(difluoro)methyl]-4,4-difluorocyclohexan-1-ol
PubChem CID164651145
Molecular FormulaC7H9BrF4O
Molecular Weight265.04 g/mol
Exact Mass263.98
IUPAC Name1-[bromo(difluoro)methyl]-4,4-difluorocyclohexan-1-ol
SMILESOC1(C(F)(F)Br)CCC(F)(F)CC1
InChIInChI=1S/C7H9BrF4O/c8-7(11,12)5(13)1-3-6(9,10)4-2-5/h13H,1-4H2
InChIKeyJCRJJXZTQGBGTP-UHFFFAOYSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.04
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[bromo(difluoro)methyl]-4,4-difluorocyclohexan-1-ol?
The IUPAC name of 1-[bromo(difluoro)methyl]-4,4-difluorocyclohexan-1-ol (CID 164651145) is 1-[bromo(difluoro)methyl]-4,4-difluorocyclohexan-1-ol.
What is the SMILES notation for 1-[bromo(difluoro)methyl]-4,4-difluorocyclohexan-1-ol?
The canonical SMILES for 1-[bromo(difluoro)methyl]-4,4-difluorocyclohexan-1-ol is OC1(C(F)(F)Br)CCC(F)(F)CC1.
What is the InChIKey of 1-[bromo(difluoro)methyl]-4,4-difluorocyclohexan-1-ol?
The InChIKey is JCRJJXZTQGBGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrF4O/c8-7(11,12)5(13)1-3-6(9,10)4-2-5/h13H,1-4H2.
What are the key properties of 1-[bromo(difluoro)methyl]-4,4-difluorocyclohexan-1-ol?
1-[bromo(difluoro)methyl]-4,4-difluorocyclohexan-1-ol has a molecular weight of 265.04 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo(difluoro)methyl]-4,4-difluorocyclohexan-1-ol is sourced from PubChem (CID 164651145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).