2,3-difluoro-1-(2-fluoro-4-prop-2-enoxycyclohexyl)-4-methoxycyclohexane

C16H25F3O2 — CID 118181694

IUPAC2,3-difluoro-1-(2-fluoro-4-prop-2-enoxycyclohexyl)-4-methoxycyclohexane
SMILESC=CCOC1CCC(C2CCC(OC)C(F)C2F)C(F)C1
InChIInChI=1S/C16H25F3O2/c1-3-8-21-10-4-5-11(13(17)9-10)12-6-7-14(20-2)16(19)15(12)18/h3,10-16H,1,4-9H2,2H3
InChIKeyUVEZOLUMMNYRKP-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.80
Rot. Bonds5

About 2,3-difluoro-1-(2-fluoro-4-prop-2-enoxycyclohexyl)-4-methoxycyclohexane

2,3-difluoro-1-(2-fluoro-4-prop-2-enoxycyclohexyl)-4-methoxycyclohexane (PubChem CID 118181694) has the molecular formula C16H25F3O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2,3-difluoro-1-(2-fluoro-4-prop-2-enoxycyclohexyl)-4-methoxycyclohexane.

Molecular Properties

Compound Name2,3-difluoro-1-(2-fluoro-4-prop-2-enoxycyclohexyl)-4-methoxycyclohexane
PubChem CID118181694
Molecular FormulaC16H25F3O2
Molecular Weight306.37 g/mol
Exact Mass306.18
IUPAC Name2,3-difluoro-1-(2-fluoro-4-prop-2-enoxycyclohexyl)-4-methoxycyclohexane
SMILESC=CCOC1CCC(C2CCC(OC)C(F)C2F)C(F)C1
InChIInChI=1S/C16H25F3O2/c1-3-8-21-10-4-5-11(13(17)9-10)12-6-7-14(20-2)16(19)15(12)18/h3,10-16H,1,4-9H2,2H3
InChIKeyUVEZOLUMMNYRKP-UHFFFAOYSA-N
XLogP3.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3-difluoro-1-(2-fluoro-4-prop-2-enoxycyclohexyl)-4-methoxycyclohexane 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 2,3-difluoro-1-(2-fluoro-4-prop-2-enoxycyclohexyl)-4-methoxycyclohexane?
The IUPAC name of 2,3-difluoro-1-(2-fluoro-4-prop-2-enoxycyclohexyl)-4-methoxycyclohexane (CID 118181694) is 2,3-difluoro-1-(2-fluoro-4-prop-2-enoxycyclohexyl)-4-methoxycyclohexane.
What is the SMILES notation for 2,3-difluoro-1-(2-fluoro-4-prop-2-enoxycyclohexyl)-4-methoxycyclohexane?
The canonical SMILES for 2,3-difluoro-1-(2-fluoro-4-prop-2-enoxycyclohexyl)-4-methoxycyclohexane is C=CCOC1CCC(C2CCC(OC)C(F)C2F)C(F)C1.
What is the InChIKey of 2,3-difluoro-1-(2-fluoro-4-prop-2-enoxycyclohexyl)-4-methoxycyclohexane?
The InChIKey is UVEZOLUMMNYRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3O2/c1-3-8-21-10-4-5-11(13(17)9-10)12-6-7-14(20-2)16(19)15(12)18/h3,10-16H,1,4-9H2,2H3.
What are the key properties of 2,3-difluoro-1-(2-fluoro-4-prop-2-enoxycyclohexyl)-4-methoxycyclohexane?
2,3-difluoro-1-(2-fluoro-4-prop-2-enoxycyclohexyl)-4-methoxycyclohexane has a molecular weight of 306.37 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-(2-fluoro-4-prop-2-enoxycyclohexyl)-4-methoxycyclohexane is sourced from PubChem (CID 118181694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).