4-(bromomethyl)-1,1-difluorocyclohexane;(4,4-difluorocyclohexyl)methanol

C14H23BrF4O — CID 159319848

IUPAC4-(bromomethyl)-1,1-difluorocyclohexane;(4,4-difluorocyclohexyl)methanol
SMILESFC1(F)CCC(CBr)CC1.OCC1CCC(F)(F)CC1
InChIInChI=1S/C7H11BrF2.C7H12F2O/c8-5-6-1-3-7(9,10)4-2-6;8-7(9)3-1-6(5-10)2-4-7/h6H,1-5H2;6,10H,1-5H2
InChIKeyLDPSZTHERFWESA-UHFFFAOYSA-N
MW363.23 g/mol
LogP5.01
Rot. Bonds2

About 4-(bromomethyl)-1,1-difluorocyclohexane;(4,4-difluorocyclohexyl)methanol

4-(bromomethyl)-1,1-difluorocyclohexane;(4,4-difluorocyclohexyl)methanol (PubChem CID 159319848) has the molecular formula C14H23BrF4O and a molecular weight of 363.23 g/mol. Its IUPAC name is 4-(bromomethyl)-1,1-difluorocyclohexane;(4,4-difluorocyclohexyl)methanol.

Molecular Properties

Compound Name4-(bromomethyl)-1,1-difluorocyclohexane;(4,4-difluorocyclohexyl)methanol
PubChem CID159319848
Molecular FormulaC14H23BrF4O
Molecular Weight363.23 g/mol
Exact Mass362.09
IUPAC Name4-(bromomethyl)-1,1-difluorocyclohexane;(4,4-difluorocyclohexyl)methanol
SMILESFC1(F)CCC(CBr)CC1.OCC1CCC(F)(F)CC1
InChIInChI=1S/C7H11BrF2.C7H12F2O/c8-5-6-1-3-7(9,10)4-2-6;8-7(9)3-1-6(5-10)2-4-7/h6H,1-5H2;6,10H,1-5H2
InChIKeyLDPSZTHERFWESA-UHFFFAOYSA-N
XLogP5.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.23
LogP ≤ 55.01
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

3-Bromo-2-(4,4-difluorocyclohexyl)propan-1-ol
CID 165529195
2-Bromo-1-(4,4-difluorocyclohexyl)ethan-1-ol
CID 165714621

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1,1-difluorocyclohexane;(4,4-difluorocyclohexyl)methanol?
The IUPAC name of 4-(bromomethyl)-1,1-difluorocyclohexane;(4,4-difluorocyclohexyl)methanol (CID 159319848) is 4-(bromomethyl)-1,1-difluorocyclohexane;(4,4-difluorocyclohexyl)methanol.
What is the SMILES notation for 4-(bromomethyl)-1,1-difluorocyclohexane;(4,4-difluorocyclohexyl)methanol?
The canonical SMILES for 4-(bromomethyl)-1,1-difluorocyclohexane;(4,4-difluorocyclohexyl)methanol is FC1(F)CCC(CBr)CC1.OCC1CCC(F)(F)CC1.
What is the InChIKey of 4-(bromomethyl)-1,1-difluorocyclohexane;(4,4-difluorocyclohexyl)methanol?
The InChIKey is LDPSZTHERFWESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrF2.C7H12F2O/c8-5-6-1-3-7(9,10)4-2-6;8-7(9)3-1-6(5-10)2-4-7/h6H,1-5H2;6,10H,1-5H2.
What are the key properties of 4-(bromomethyl)-1,1-difluorocyclohexane;(4,4-difluorocyclohexyl)methanol?
4-(bromomethyl)-1,1-difluorocyclohexane;(4,4-difluorocyclohexyl)methanol has a molecular weight of 363.23 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1,1-difluorocyclohexane;(4,4-difluorocyclohexyl)methanol is sourced from PubChem (CID 159319848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).