(Z)-(4,5-difluoro-2-methylcyclohexylidene)methanol

C8H12F2O — CID 174047093

IUPAC(Z)-(4,5-difluoro-2-methylcyclohexylidene)methanol
SMILESCC1CC(F)C(F)C/C1=C/O
InChIInChI=1S/C8H12F2O/c1-5-2-7(9)8(10)3-6(5)4-11/h4-5,7-8,11H,2-3H2,1H3/b6-4-
InChIKeyWMRIXTWRMJLMCI-XQRVVYSFSA-N
MW162.18 g/mol
LogP2.53
Rot. Bonds

About (Z)-(4,5-difluoro-2-methylcyclohexylidene)methanol

(Z)-(4,5-difluoro-2-methylcyclohexylidene)methanol (PubChem CID 174047093) has the molecular formula C8H12F2O and a molecular weight of 162.18 g/mol. Its IUPAC name is (Z)-(4,5-difluoro-2-methylcyclohexylidene)methanol.

Molecular Properties

Compound Name(Z)-(4,5-difluoro-2-methylcyclohexylidene)methanol
PubChem CID174047093
Molecular FormulaC8H12F2O
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name(Z)-(4,5-difluoro-2-methylcyclohexylidene)methanol
SMILESCC1CC(F)C(F)C/C1=C/O
InChIInChI=1S/C8H12F2O/c1-5-2-7(9)8(10)3-6(5)4-11/h4-5,7-8,11H,2-3H2,1H3/b6-4-
InChIKeyWMRIXTWRMJLMCI-XQRVVYSFSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-(4,5-difluoro-2-methylcyclohexylidene)methanol?
The IUPAC name of (Z)-(4,5-difluoro-2-methylcyclohexylidene)methanol (CID 174047093) is (Z)-(4,5-difluoro-2-methylcyclohexylidene)methanol.
What is the SMILES notation for (Z)-(4,5-difluoro-2-methylcyclohexylidene)methanol?
The canonical SMILES for (Z)-(4,5-difluoro-2-methylcyclohexylidene)methanol is CC1CC(F)C(F)C/C1=C/O.
What is the InChIKey of (Z)-(4,5-difluoro-2-methylcyclohexylidene)methanol?
The InChIKey is WMRIXTWRMJLMCI-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H12F2O/c1-5-2-7(9)8(10)3-6(5)4-11/h4-5,7-8,11H,2-3H2,1H3/b6-4-.
What are the key properties of (Z)-(4,5-difluoro-2-methylcyclohexylidene)methanol?
(Z)-(4,5-difluoro-2-methylcyclohexylidene)methanol has a molecular weight of 162.18 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(4,5-difluoro-2-methylcyclohexylidene)methanol is sourced from PubChem (CID 174047093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).