1-(difluoromethyl)cyclohex-4-ene-1,2-diol

C7H10F2O2 — CID 89172023

IUPAC1-(difluoromethyl)cyclohex-4-ene-1,2-diol
SMILESOC1CC=CCC1(O)C(F)F
InChIInChI=1S/C7H10F2O2/c8-6(9)7(11)4-2-1-3-5(7)10/h1-2,5-6,10-11H,3-4H2
InChIKeyKGFXDLNUWVJSKL-UHFFFAOYSA-N
MW164.15 g/mol
LogP0.69
Rot. Bonds1

About 1-(difluoromethyl)cyclohex-4-ene-1,2-diol

1-(difluoromethyl)cyclohex-4-ene-1,2-diol (PubChem CID 89172023) has the molecular formula C7H10F2O2 and a molecular weight of 164.15 g/mol. Its IUPAC name is 1-(difluoromethyl)cyclohex-4-ene-1,2-diol.

Molecular Properties

Compound Name1-(difluoromethyl)cyclohex-4-ene-1,2-diol
PubChem CID89172023
Molecular FormulaC7H10F2O2
Molecular Weight164.15 g/mol
Exact Mass164.06
IUPAC Name1-(difluoromethyl)cyclohex-4-ene-1,2-diol
SMILESOC1CC=CCC1(O)C(F)F
InChIInChI=1S/C7H10F2O2/c8-6(9)7(11)4-2-1-3-5(7)10/h1-2,5-6,10-11H,3-4H2
InChIKeyKGFXDLNUWVJSKL-UHFFFAOYSA-N
XLogP0.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.15
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 89165330
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CID 142463393
CID 142463393
CID 142463394
CID 142463394
CID 11389742
CID 11389742
CID 21577203
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CID 21577204
CID 21577204
CID 21577205
CID 21577205
CID 72828507
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CID 101341740
CID 101341740

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)cyclohex-4-ene-1,2-diol?
The IUPAC name of 1-(difluoromethyl)cyclohex-4-ene-1,2-diol (CID 89172023) is 1-(difluoromethyl)cyclohex-4-ene-1,2-diol.
What is the SMILES notation for 1-(difluoromethyl)cyclohex-4-ene-1,2-diol?
The canonical SMILES for 1-(difluoromethyl)cyclohex-4-ene-1,2-diol is OC1CC=CCC1(O)C(F)F.
What is the InChIKey of 1-(difluoromethyl)cyclohex-4-ene-1,2-diol?
The InChIKey is KGFXDLNUWVJSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O2/c8-6(9)7(11)4-2-1-3-5(7)10/h1-2,5-6,10-11H,3-4H2.
What are the key properties of 1-(difluoromethyl)cyclohex-4-ene-1,2-diol?
1-(difluoromethyl)cyclohex-4-ene-1,2-diol has a molecular weight of 164.15 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)cyclohex-4-ene-1,2-diol is sourced from PubChem (CID 89172023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).