2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-undec-10-enoxybenzene

C30H46F2O — CID 145436427

IUPAC2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-undec-10-enoxybenzene
SMILESC=CCCCCCCCCCOc1ccc(C2CCC(C3CCC(C)CC3)CC2)c(F)c1F
InChIInChI=1S/C30H46F2O/c1-3-4-5-6-7-8-9-10-11-22-33-28-21-20-27(29(31)30(28)32)26-18-16-25(17-19-26)24-14-12-23(2)13-15-24/h3,20-21,23-26H,1,4-19,22H2,2H3
InChIKeyFXCWXEOOJLJPHH-UHFFFAOYSA-N
MW460.69 g/mol
LogP9.75
Rot. Bonds13

About 2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-undec-10-enoxybenzene

2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-undec-10-enoxybenzene (PubChem CID 145436427) has the molecular formula C30H46F2O and a molecular weight of 460.69 g/mol. Its IUPAC name is 2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-undec-10-enoxybenzene.

Molecular Properties

Compound Name2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-undec-10-enoxybenzene
PubChem CID145436427
Molecular FormulaC30H46F2O
Molecular Weight460.69 g/mol
Exact Mass460.35
IUPAC Name2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-undec-10-enoxybenzene
SMILESC=CCCCCCCCCCOc1ccc(C2CCC(C3CCC(C)CC3)CC2)c(F)c1F
InChIInChI=1S/C30H46F2O/c1-3-4-5-6-7-8-9-10-11-22-33-28-21-20-27(29(31)30(28)32)26-18-16-25(17-19-26)24-14-12-23(2)13-15-24/h3,20-21,23-26H,1,4-19,22H2,2H3
InChIKeyFXCWXEOOJLJPHH-UHFFFAOYSA-N
XLogP9.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.69
LogP ≤ 59.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-undec-10-enoxybenzene with MolForge

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

Launch Full Analysis

Related Compounds

1-but-3-enoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
CID 161461439
2,3-difluoro-1-pent-4-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 69030502
2,3-difluoro-1-octoxy-4-[4-(4-prop-2-enylcyclohexyl)cyclohexyl]benzene
CID 20621633
1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-hexoxybenzene
CID 134358390
1-butoxy-4-(4-cyclopentylcyclohexyl)-2,3-difluorobenzene
CID 118119063
2,3-difluoro-1-[4-(4-hexylcyclohexyl)cyclohexyl]-4-pentoxybenzene
CID 134358391
1-[(E)-but-2-enoxy]-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 134358461
1-(4-ethenylcyclohexyl)-2,3-difluoro-4-propoxybenzene
CID 20621743
1-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-2,3-difluorobenzene
CID 67738483
1-[4-[4-[(Z)-but-2-enyl]cyclohexyl]cyclohexyl]-2,3-difluoro-4-octoxybenzene
CID 134358437
[2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] hypochlorite
CID 143863856
1-butoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-heptoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-hexoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methoxy-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-nonoxybenzene;2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-octoxybenzene;2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-pentoxybenzene;2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-propoxybenzene;1-ethoxy-2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene
CID 158742771

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-undec-10-enoxybenzene?
The IUPAC name of 2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-undec-10-enoxybenzene (CID 145436427) is 2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-undec-10-enoxybenzene.
What is the SMILES notation for 2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-undec-10-enoxybenzene?
The canonical SMILES for 2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-undec-10-enoxybenzene is C=CCCCCCCCCCOc1ccc(C2CCC(C3CCC(C)CC3)CC2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-undec-10-enoxybenzene?
The InChIKey is FXCWXEOOJLJPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46F2O/c1-3-4-5-6-7-8-9-10-11-22-33-28-21-20-27(29(31)30(28)32)26-18-16-25(17-19-26)24-14-12-23(2)13-15-24/h3,20-21,23-26H,1,4-19,22H2,2H3.
What are the key properties of 2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-undec-10-enoxybenzene?
2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-undec-10-enoxybenzene has a molecular weight of 460.69 g/mol, XLogP of 9.75, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-undec-10-enoxybenzene is sourced from PubChem (CID 145436427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).