2,3-difluoro-4-(4-methylcyclohexen-1-yl)cyclohexan-1-ol

C13H20F2O — CID 138718400

IUPAC2,3-difluoro-4-(4-methylcyclohexen-1-yl)cyclohexan-1-ol
SMILESCC1CC=C(C2CCC(O)C(F)C2F)CC1
InChIInChI=1S/C13H20F2O/c1-8-2-4-9(5-3-8)10-6-7-11(16)13(15)12(10)14/h4,8,10-13,16H,2-3,5-7H2,1H3
InChIKeyAJJQQXYBBCWXIL-UHFFFAOYSA-N
MW230.30 g/mol
LogP3.18
Rot. Bonds1

About 2,3-difluoro-4-(4-methylcyclohexen-1-yl)cyclohexan-1-ol

2,3-difluoro-4-(4-methylcyclohexen-1-yl)cyclohexan-1-ol (PubChem CID 138718400) has the molecular formula C13H20F2O and a molecular weight of 230.30 g/mol. Its IUPAC name is 2,3-difluoro-4-(4-methylcyclohexen-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2,3-difluoro-4-(4-methylcyclohexen-1-yl)cyclohexan-1-ol
PubChem CID138718400
Molecular FormulaC13H20F2O
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name2,3-difluoro-4-(4-methylcyclohexen-1-yl)cyclohexan-1-ol
SMILESCC1CC=C(C2CCC(O)C(F)C2F)CC1
InChIInChI=1S/C13H20F2O/c1-8-2-4-9(5-3-8)10-6-7-11(16)13(15)12(10)14/h4,8,10-13,16H,2-3,5-7H2,1H3
InChIKeyAJJQQXYBBCWXIL-UHFFFAOYSA-N
XLogP3.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-(4-methylcyclohexen-1-yl)cyclohexan-1-ol?
The IUPAC name of 2,3-difluoro-4-(4-methylcyclohexen-1-yl)cyclohexan-1-ol (CID 138718400) is 2,3-difluoro-4-(4-methylcyclohexen-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 2,3-difluoro-4-(4-methylcyclohexen-1-yl)cyclohexan-1-ol?
The canonical SMILES for 2,3-difluoro-4-(4-methylcyclohexen-1-yl)cyclohexan-1-ol is CC1CC=C(C2CCC(O)C(F)C2F)CC1.
What is the InChIKey of 2,3-difluoro-4-(4-methylcyclohexen-1-yl)cyclohexan-1-ol?
The InChIKey is AJJQQXYBBCWXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2O/c1-8-2-4-9(5-3-8)10-6-7-11(16)13(15)12(10)14/h4,8,10-13,16H,2-3,5-7H2,1H3.
What are the key properties of 2,3-difluoro-4-(4-methylcyclohexen-1-yl)cyclohexan-1-ol?
2,3-difluoro-4-(4-methylcyclohexen-1-yl)cyclohexan-1-ol has a molecular weight of 230.30 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-(4-methylcyclohexen-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 138718400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).