[3-[(3E)-8,8-difluoroocta-1,3-dien-4-yl]cyclohex-3-en-1-yl]methanol

C15H22F2O — CID 88884757

IUPAC[3-[(3E)-8,8-difluoroocta-1,3-dien-4-yl]cyclohex-3-en-1-yl]methanol
SMILESC=C/C=C(\CCCC(F)F)C1=CCCC(CO)C1
InChIInChI=1S/C15H22F2O/c1-2-5-13(7-4-9-15(16)17)14-8-3-6-12(10-14)11-18/h2,5,8,12,15,18H,1,3-4,6-7,9-11H2/b13-5+
InChIKeyXGZOSHMIEXZJSO-WLRTZDKTSA-N
MW256.34 g/mol
LogP4.25
Rot. Bonds7

About [3-[(3E)-8,8-difluoroocta-1,3-dien-4-yl]cyclohex-3-en-1-yl]methanol

[3-[(3E)-8,8-difluoroocta-1,3-dien-4-yl]cyclohex-3-en-1-yl]methanol (PubChem CID 88884757) has the molecular formula C15H22F2O and a molecular weight of 256.34 g/mol. Its IUPAC name is [3-[(3E)-8,8-difluoroocta-1,3-dien-4-yl]cyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[3-[(3E)-8,8-difluoroocta-1,3-dien-4-yl]cyclohex-3-en-1-yl]methanol
PubChem CID88884757
Molecular FormulaC15H22F2O
Molecular Weight256.34 g/mol
Exact Mass256.16
IUPAC Name[3-[(3E)-8,8-difluoroocta-1,3-dien-4-yl]cyclohex-3-en-1-yl]methanol
SMILESC=C/C=C(\CCCC(F)F)C1=CCCC(CO)C1
InChIInChI=1S/C15H22F2O/c1-2-5-13(7-4-9-15(16)17)14-8-3-6-12(10-14)11-18/h2,5,8,12,15,18H,1,3-4,6-7,9-11H2/b13-5+
InChIKeyXGZOSHMIEXZJSO-WLRTZDKTSA-N
XLogP4.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[(3E)-8,8-difluoroocta-1,3-dien-4-yl]cyclohex-3-en-1-yl]methanol?
The IUPAC name of [3-[(3E)-8,8-difluoroocta-1,3-dien-4-yl]cyclohex-3-en-1-yl]methanol (CID 88884757) is [3-[(3E)-8,8-difluoroocta-1,3-dien-4-yl]cyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [3-[(3E)-8,8-difluoroocta-1,3-dien-4-yl]cyclohex-3-en-1-yl]methanol?
The canonical SMILES for [3-[(3E)-8,8-difluoroocta-1,3-dien-4-yl]cyclohex-3-en-1-yl]methanol is C=C/C=C(\CCCC(F)F)C1=CCCC(CO)C1.
What is the InChIKey of [3-[(3E)-8,8-difluoroocta-1,3-dien-4-yl]cyclohex-3-en-1-yl]methanol?
The InChIKey is XGZOSHMIEXZJSO-WLRTZDKTSA-N. The full InChI is InChI=1S/C15H22F2O/c1-2-5-13(7-4-9-15(16)17)14-8-3-6-12(10-14)11-18/h2,5,8,12,15,18H,1,3-4,6-7,9-11H2/b13-5+.
What are the key properties of [3-[(3E)-8,8-difluoroocta-1,3-dien-4-yl]cyclohex-3-en-1-yl]methanol?
[3-[(3E)-8,8-difluoroocta-1,3-dien-4-yl]cyclohex-3-en-1-yl]methanol has a molecular weight of 256.34 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3E)-8,8-difluoroocta-1,3-dien-4-yl]cyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 88884757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).