1-ethoxy-2,3-difluoro-4-[4-(2-fluoroprop-1-enyl)cyclohexyl]benzene

C17H21F3O — CID 123762040

IUPAC1-ethoxy-2,3-difluoro-4-[4-(2-fluoroprop-1-enyl)cyclohexyl]benzene
SMILESCCOc1ccc(C2CCC(C=C(C)F)CC2)c(F)c1F
InChIInChI=1S/C17H21F3O/c1-3-21-15-9-8-14(16(19)17(15)20)13-6-4-12(5-7-13)10-11(2)18/h8-10,12-13H,3-7H2,1-2H3
InChIKeyXUCNYASPQMVKMT-UHFFFAOYSA-N
MW298.35 g/mol
LogP5.51
Rot. Bonds4

About 1-ethoxy-2,3-difluoro-4-[4-(2-fluoroprop-1-enyl)cyclohexyl]benzene

1-ethoxy-2,3-difluoro-4-[4-(2-fluoroprop-1-enyl)cyclohexyl]benzene (PubChem CID 123762040) has the molecular formula C17H21F3O and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-ethoxy-2,3-difluoro-4-[4-(2-fluoroprop-1-enyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-ethoxy-2,3-difluoro-4-[4-(2-fluoroprop-1-enyl)cyclohexyl]benzene
PubChem CID123762040
Molecular FormulaC17H21F3O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name1-ethoxy-2,3-difluoro-4-[4-(2-fluoroprop-1-enyl)cyclohexyl]benzene
SMILESCCOc1ccc(C2CCC(C=C(C)F)CC2)c(F)c1F
InChIInChI=1S/C17H21F3O/c1-3-21-15-9-8-14(16(19)17(15)20)13-6-4-12(5-7-13)10-11(2)18/h8-10,12-13H,3-7H2,1-2H3
InChIKeyXUCNYASPQMVKMT-UHFFFAOYSA-N
XLogP5.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.35
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethoxy-2,3-difluoro-4-[4-(2-fluoroprop-1-enyl)cyclohexyl]benzene 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 1-ethoxy-2,3-difluoro-4-[4-(2-fluoroprop-1-enyl)cyclohexyl]benzene?
The IUPAC name of 1-ethoxy-2,3-difluoro-4-[4-(2-fluoroprop-1-enyl)cyclohexyl]benzene (CID 123762040) is 1-ethoxy-2,3-difluoro-4-[4-(2-fluoroprop-1-enyl)cyclohexyl]benzene.
What is the SMILES notation for 1-ethoxy-2,3-difluoro-4-[4-(2-fluoroprop-1-enyl)cyclohexyl]benzene?
The canonical SMILES for 1-ethoxy-2,3-difluoro-4-[4-(2-fluoroprop-1-enyl)cyclohexyl]benzene is CCOc1ccc(C2CCC(C=C(C)F)CC2)c(F)c1F.
What is the InChIKey of 1-ethoxy-2,3-difluoro-4-[4-(2-fluoroprop-1-enyl)cyclohexyl]benzene?
The InChIKey is XUCNYASPQMVKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3O/c1-3-21-15-9-8-14(16(19)17(15)20)13-6-4-12(5-7-13)10-11(2)18/h8-10,12-13H,3-7H2,1-2H3.
What are the key properties of 1-ethoxy-2,3-difluoro-4-[4-(2-fluoroprop-1-enyl)cyclohexyl]benzene?
1-ethoxy-2,3-difluoro-4-[4-(2-fluoroprop-1-enyl)cyclohexyl]benzene has a molecular weight of 298.35 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,3-difluoro-4-[4-(2-fluoroprop-1-enyl)cyclohexyl]benzene is sourced from PubChem (CID 123762040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).