(1R,3R,4R)-2-ethenyl-5-ethenylidene-1,4-difluoro-6-methoxy-1-methyl-3-prop-2-enylcyclohexane

C15H20F2O — CID 135248142

IUPAC(1R,3R,4R)-2-ethenyl-5-ethenylidene-1,4-difluoro-6-methoxy-1-methyl-3-prop-2-enylcyclohexane
SMILESC=C=C1C(OC)[C@](C)(F)C(C=C)[C@@H](CC=C)[C@H]1F
InChIInChI=1S/C15H20F2O/c1-6-9-11-12(8-3)15(4,17)14(18-5)10(7-2)13(11)16/h6,8,11-14H,1-3,9H2,4-5H3/t11-,12?,13+,14?,15-/m1/s1
InChIKeyNJVFMYABBHNXKX-DMVUBFGOSA-N
MW254.32 g/mol
LogP3.79
Rot. Bonds4

About (1R,3R,4R)-2-ethenyl-5-ethenylidene-1,4-difluoro-6-methoxy-1-methyl-3-prop-2-enylcyclohexane

(1R,3R,4R)-2-ethenyl-5-ethenylidene-1,4-difluoro-6-methoxy-1-methyl-3-prop-2-enylcyclohexane (PubChem CID 135248142) has the molecular formula C15H20F2O and a molecular weight of 254.32 g/mol. Its IUPAC name is (1R,3R,4R)-2-ethenyl-5-ethenylidene-1,4-difluoro-6-methoxy-1-methyl-3-prop-2-enylcyclohexane.

Molecular Properties

Compound Name(1R,3R,4R)-2-ethenyl-5-ethenylidene-1,4-difluoro-6-methoxy-1-methyl-3-prop-2-enylcyclohexane
PubChem CID135248142
Molecular FormulaC15H20F2O
Molecular Weight254.32 g/mol
Exact Mass254.15
IUPAC Name(1R,3R,4R)-2-ethenyl-5-ethenylidene-1,4-difluoro-6-methoxy-1-methyl-3-prop-2-enylcyclohexane
SMILESC=C=C1C(OC)[C@](C)(F)C(C=C)[C@@H](CC=C)[C@H]1F
InChIInChI=1S/C15H20F2O/c1-6-9-11-12(8-3)15(4,17)14(18-5)10(7-2)13(11)16/h6,8,11-14H,1-3,9H2,4-5H3/t11-,12?,13+,14?,15-/m1/s1
InChIKeyNJVFMYABBHNXKX-DMVUBFGOSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,3R,4R)-2-ethenyl-5-ethenylidene-1,4-difluoro-6-methoxy-1-methyl-3-prop-2-enylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,3R,4R)-2-ethenyl-5-ethenylidene-1,4-difluoro-6-methoxy-1-methyl-3-prop-2-enylcyclohexane?
The IUPAC name of (1R,3R,4R)-2-ethenyl-5-ethenylidene-1,4-difluoro-6-methoxy-1-methyl-3-prop-2-enylcyclohexane (CID 135248142) is (1R,3R,4R)-2-ethenyl-5-ethenylidene-1,4-difluoro-6-methoxy-1-methyl-3-prop-2-enylcyclohexane.
What is the SMILES notation for (1R,3R,4R)-2-ethenyl-5-ethenylidene-1,4-difluoro-6-methoxy-1-methyl-3-prop-2-enylcyclohexane?
The canonical SMILES for (1R,3R,4R)-2-ethenyl-5-ethenylidene-1,4-difluoro-6-methoxy-1-methyl-3-prop-2-enylcyclohexane is C=C=C1C(OC)[C@](C)(F)C(C=C)[C@@H](CC=C)[C@H]1F.
What is the InChIKey of (1R,3R,4R)-2-ethenyl-5-ethenylidene-1,4-difluoro-6-methoxy-1-methyl-3-prop-2-enylcyclohexane?
The InChIKey is NJVFMYABBHNXKX-DMVUBFGOSA-N. The full InChI is InChI=1S/C15H20F2O/c1-6-9-11-12(8-3)15(4,17)14(18-5)10(7-2)13(11)16/h6,8,11-14H,1-3,9H2,4-5H3/t11-,12?,13+,14?,15-/m1/s1.
What are the key properties of (1R,3R,4R)-2-ethenyl-5-ethenylidene-1,4-difluoro-6-methoxy-1-methyl-3-prop-2-enylcyclohexane?
(1R,3R,4R)-2-ethenyl-5-ethenylidene-1,4-difluoro-6-methoxy-1-methyl-3-prop-2-enylcyclohexane has a molecular weight of 254.32 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4R)-2-ethenyl-5-ethenylidene-1,4-difluoro-6-methoxy-1-methyl-3-prop-2-enylcyclohexane is sourced from PubChem (CID 135248142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).