2,3-difluoro-1-methoxy-4-[1-[1-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]ethoxy]propan-2-yl]cyclohexa-1,3-diene

C22H34F2O3 — CID 143889253

IUPAC2,3-difluoro-1-methoxy-4-[1-[1-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]ethoxy]propan-2-yl]cyclohexa-1,3-diene
SMILESC/C=C/C1CCC(COC(C)OCC(C)C2=C(F)C(F)=C(OC)CC2)CC1
InChIInChI=1S/C22H34F2O3/c1-5-6-17-7-9-18(10-8-17)14-27-16(3)26-13-15(2)19-11-12-20(25-4)22(24)21(19)23/h5-6,15-18H,7-14H2,1-4H3/b6-5+
InChIKeyDXTCXVWAVHLVFX-AATRIKPKSA-N
MW384.51 g/mol
LogP6.23
Rot. Bonds9

About 2,3-difluoro-1-methoxy-4-[1-[1-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]ethoxy]propan-2-yl]cyclohexa-1,3-diene

2,3-difluoro-1-methoxy-4-[1-[1-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]ethoxy]propan-2-yl]cyclohexa-1,3-diene (PubChem CID 143889253) has the molecular formula C22H34F2O3 and a molecular weight of 384.51 g/mol. Its IUPAC name is 2,3-difluoro-1-methoxy-4-[1-[1-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]ethoxy]propan-2-yl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name2,3-difluoro-1-methoxy-4-[1-[1-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]ethoxy]propan-2-yl]cyclohexa-1,3-diene
PubChem CID143889253
Molecular FormulaC22H34F2O3
Molecular Weight384.51 g/mol
Exact Mass384.25
IUPAC Name2,3-difluoro-1-methoxy-4-[1-[1-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]ethoxy]propan-2-yl]cyclohexa-1,3-diene
SMILESC/C=C/C1CCC(COC(C)OCC(C)C2=C(F)C(F)=C(OC)CC2)CC1
InChIInChI=1S/C22H34F2O3/c1-5-6-17-7-9-18(10-8-17)14-27-16(3)26-13-15(2)19-11-12-20(25-4)22(24)21(19)23/h5-6,15-18H,7-14H2,1-4H3/b6-5+
InChIKeyDXTCXVWAVHLVFX-AATRIKPKSA-N
XLogP6.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.51
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,3-difluoro-1-methoxy-4-[1-[1-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]ethoxy]propan-2-yl]cyclohexa-1,3-diene 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-methoxy-4-[1-[1-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]ethoxy]propan-2-yl]cyclohexa-1,3-diene?
The IUPAC name of 2,3-difluoro-1-methoxy-4-[1-[1-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]ethoxy]propan-2-yl]cyclohexa-1,3-diene (CID 143889253) is 2,3-difluoro-1-methoxy-4-[1-[1-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]ethoxy]propan-2-yl]cyclohexa-1,3-diene.
What is the SMILES notation for 2,3-difluoro-1-methoxy-4-[1-[1-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]ethoxy]propan-2-yl]cyclohexa-1,3-diene?
The canonical SMILES for 2,3-difluoro-1-methoxy-4-[1-[1-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]ethoxy]propan-2-yl]cyclohexa-1,3-diene is C/C=C/C1CCC(COC(C)OCC(C)C2=C(F)C(F)=C(OC)CC2)CC1.
What is the InChIKey of 2,3-difluoro-1-methoxy-4-[1-[1-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]ethoxy]propan-2-yl]cyclohexa-1,3-diene?
The InChIKey is DXTCXVWAVHLVFX-AATRIKPKSA-N. The full InChI is InChI=1S/C22H34F2O3/c1-5-6-17-7-9-18(10-8-17)14-27-16(3)26-13-15(2)19-11-12-20(25-4)22(24)21(19)23/h5-6,15-18H,7-14H2,1-4H3/b6-5+.
What are the key properties of 2,3-difluoro-1-methoxy-4-[1-[1-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]ethoxy]propan-2-yl]cyclohexa-1,3-diene?
2,3-difluoro-1-methoxy-4-[1-[1-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]ethoxy]propan-2-yl]cyclohexa-1,3-diene has a molecular weight of 384.51 g/mol, XLogP of 6.23, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-methoxy-4-[1-[1-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]ethoxy]propan-2-yl]cyclohexa-1,3-diene is sourced from PubChem (CID 143889253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).