1-[bromo(difluoro)methyl]-4-(trifluoromethyl)cyclohexan-1-ol

C8H10BrF5O — CID 107140191

IUPAC1-[bromo(difluoro)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(C(F)(F)Br)CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H10BrF5O/c9-8(13,14)6(15)3-1-5(2-4-6)7(10,11)12/h5,15H,1-4H2
InChIKeyNFMGXCDSHDAWJR-UHFFFAOYSA-N
MW297.06 g/mol
LogP3.46
Rot. Bonds1

About 1-[bromo(difluoro)methyl]-4-(trifluoromethyl)cyclohexan-1-ol

1-[bromo(difluoro)methyl]-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 107140191) has the molecular formula C8H10BrF5O and a molecular weight of 297.06 g/mol. Its IUPAC name is 1-[bromo(difluoro)methyl]-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[bromo(difluoro)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID107140191
Molecular FormulaC8H10BrF5O
Molecular Weight297.06 g/mol
Exact Mass295.98
IUPAC Name1-[bromo(difluoro)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(C(F)(F)Br)CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H10BrF5O/c9-8(13,14)6(15)3-1-5(2-4-6)7(10,11)12/h5,15H,1-4H2
InChIKeyNFMGXCDSHDAWJR-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.06
LogP ≤ 53.46
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-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-[bromo(difluoro)methyl]-4-(trifluoromethyl)cyclohexan-1-ol (CID 107140191) is 1-[bromo(difluoro)methyl]-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-[bromo(difluoro)methyl]-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-[bromo(difluoro)methyl]-4-(trifluoromethyl)cyclohexan-1-ol is OC1(C(F)(F)Br)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[bromo(difluoro)methyl]-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is NFMGXCDSHDAWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF5O/c9-8(13,14)6(15)3-1-5(2-4-6)7(10,11)12/h5,15H,1-4H2.
What are the key properties of 1-[bromo(difluoro)methyl]-4-(trifluoromethyl)cyclohexan-1-ol?
1-[bromo(difluoro)methyl]-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 297.06 g/mol, XLogP of 3.46, 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-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 107140191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).