3-[4-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluoro-7-prop-2-enoxynaphthalene

C27H32F2O — CID 139862921

IUPAC3-[4-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluoro-7-prop-2-enoxynaphthalene
SMILESC=CCOc1ccc2cc(C3CCC(C4CCC(C=C)CC4)CC3)c(F)c(F)c2c1
InChIInChI=1S/C27H32F2O/c1-3-15-30-23-14-13-22-16-24(26(28)27(29)25(22)17-23)21-11-9-20(10-12-21)19-7-5-18(4-2)6-8-19/h3-4,13-14,16-21H,1-2,5-12,15H2
InChIKeyYEVXYTXOMFNOQQ-UHFFFAOYSA-N
MW410.55 g/mol
LogP7.95
Rot. Bonds6

About 3-[4-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluoro-7-prop-2-enoxynaphthalene

3-[4-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluoro-7-prop-2-enoxynaphthalene (PubChem CID 139862921) has the molecular formula C27H32F2O and a molecular weight of 410.55 g/mol. Its IUPAC name is 3-[4-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluoro-7-prop-2-enoxynaphthalene.

Molecular Properties

Compound Name3-[4-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluoro-7-prop-2-enoxynaphthalene
PubChem CID139862921
Molecular FormulaC27H32F2O
Molecular Weight410.55 g/mol
Exact Mass410.24
IUPAC Name3-[4-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluoro-7-prop-2-enoxynaphthalene
SMILESC=CCOc1ccc2cc(C3CCC(C4CCC(C=C)CC4)CC3)c(F)c(F)c2c1
InChIInChI=1S/C27H32F2O/c1-3-15-30-23-14-13-22-16-24(26(28)27(29)25(22)17-23)21-11-9-20(10-12-21)19-7-5-18(4-2)6-8-19/h3-4,13-14,16-21H,1-2,5-12,15H2
InChIKeyYEVXYTXOMFNOQQ-UHFFFAOYSA-N
XLogP7.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.55
LogP ≤ 57.95
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

3-(4-ethenylcyclohexyl)-7-ethyl-1,2-difluoronaphthalene
CID 139862965
3-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-7-ethoxy-1,2-difluoronaphthalene
CID 139862345
2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1-fluoro-6-prop-2-enoxynaphthalene
CID 139860510
7-but-2-enoxy-1,2-difluoro-3-(4-propylcyclohexyl)naphthalene
CID 139861294
2-(4-ethenylcyclohexyl)-6-prop-2-enoxynaphthalene
CID 139861791
7-ethoxy-1,2-difluoro-3-[4-(4-pentylcyclohexyl)cyclohexyl]naphthalene
CID 139863036
1-(4-ethenylcyclohexyl)-2,3-difluoro-4-prop-2-enoxybenzene
CID 163533849
3-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,2-difluoro-7-propylnaphthalene
CID 139863228
1,2-difluoro-7-methoxy-3-[4-(4-pentylcyclohexyl)cyclohexyl]naphthalene
CID 139863125
1-fluoro-2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene
CID 139861475
2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene
CID 139863124
2-[4-[(E)-but-2-enoxy]-2-fluorophenyl]-6-(4-ethenylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139868639

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluoro-7-prop-2-enoxynaphthalene?
The IUPAC name of 3-[4-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluoro-7-prop-2-enoxynaphthalene (CID 139862921) is 3-[4-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluoro-7-prop-2-enoxynaphthalene.
What is the SMILES notation for 3-[4-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluoro-7-prop-2-enoxynaphthalene?
The canonical SMILES for 3-[4-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluoro-7-prop-2-enoxynaphthalene is C=CCOc1ccc2cc(C3CCC(C4CCC(C=C)CC4)CC3)c(F)c(F)c2c1.
What is the InChIKey of 3-[4-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluoro-7-prop-2-enoxynaphthalene?
The InChIKey is YEVXYTXOMFNOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F2O/c1-3-15-30-23-14-13-22-16-24(26(28)27(29)25(22)17-23)21-11-9-20(10-12-21)19-7-5-18(4-2)6-8-19/h3-4,13-14,16-21H,1-2,5-12,15H2.
What are the key properties of 3-[4-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluoro-7-prop-2-enoxynaphthalene?
3-[4-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluoro-7-prop-2-enoxynaphthalene has a molecular weight of 410.55 g/mol, XLogP of 7.95, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluoro-7-prop-2-enoxynaphthalene is sourced from PubChem (CID 139862921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).