2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene

C24H34F2O — CID 134358467

IUPAC2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESC=CCOc1ccc(C2CCC(C3CCC(CCC)CC3)CC2)c(F)c1F
InChIInChI=1S/C24H34F2O/c1-3-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-15-22(27-16-4-2)24(26)23(21)25/h4,14-15,17-20H,2-3,5-13,16H2,1H3
InChIKeyFDOYOEVNFLOPTD-UHFFFAOYSA-N
MW376.53 g/mol
LogP7.41
Rot. Bonds7

About 2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene

2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene (PubChem CID 134358467) has the molecular formula C24H34F2O and a molecular weight of 376.53 g/mol. Its IUPAC name is 2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
PubChem CID134358467
Molecular FormulaC24H34F2O
Molecular Weight376.53 g/mol
Exact Mass376.26
IUPAC Name2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
SMILESC=CCOc1ccc(C2CCC(C3CCC(CCC)CC3)CC2)c(F)c1F
InChIInChI=1S/C24H34F2O/c1-3-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-15-22(27-16-4-2)24(26)23(21)25/h4,14-15,17-20H,2-3,5-13,16H2,1H3
InChIKeyFDOYOEVNFLOPTD-UHFFFAOYSA-N
XLogP7.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.53
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-1-pent-4-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 69030502
2-(4-butylcyclohexyl)-6-(2,3-difluoro-4-prop-2-enoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837474
2-[4-(2,3-difluoro-4-prop-2-enoxyphenyl)cyclohexyl]-6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139870126
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]benzene
CID 154607351
1-[4-(4,4-dimethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-prop-2-enoxybenzene
CID 126759194
2,3-difluoro-1-(1,1,2,2,2-pentadeuterioethoxy)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 142671423
2,3-difluoro-1-[(Z)-prop-1-enoxy]-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 134358464
2,3-difluoro-1-[4-[3-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-prop-2-enoxybenzene
CID 67730219
1-ethoxy-2,3-difluoro-4-[4-[(E)-4-[4-(4-propylcyclohexyl)cyclohexyl]but-3-enyl]cyclohexyl]benzene
CID 118886124
1-butoxy-2,3-difluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 67895926
2,3-difluoro-1-pent-1-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 123247924
1-but-1-enoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 123220405

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of 2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene (CID 134358467) is 2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene is C=CCOc1ccc(C2CCC(C3CCC(CCC)CC3)CC2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
The InChIKey is FDOYOEVNFLOPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34F2O/c1-3-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-15-22(27-16-4-2)24(26)23(21)25/h4,14-15,17-20H,2-3,5-13,16H2,1H3.
What are the key properties of 2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene?
2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene has a molecular weight of 376.53 g/mol, XLogP of 7.41, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 134358467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).