2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1-fluoro-6-prop-2-enoxynaphthalene

C29H37FO — CID 139860510

IUPAC2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1-fluoro-6-prop-2-enoxynaphthalene
SMILESC=CCCC1CCC(C2CCC(c3ccc4cc(OCC=C)ccc4c3F)CC2)CC1
InChIInChI=1S/C29H37FO/c1-3-5-6-21-7-9-22(10-8-21)23-11-13-24(14-12-23)27-17-15-25-20-26(31-19-4-2)16-18-28(25)29(27)30/h3-4,15-18,20-24H,1-2,5-14,19H2
InChIKeyQDGZLVLJPLTNOR-UHFFFAOYSA-N
MW420.61 g/mol
LogP8.59
Rot. Bonds8

About 2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1-fluoro-6-prop-2-enoxynaphthalene

2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1-fluoro-6-prop-2-enoxynaphthalene (PubChem CID 139860510) has the molecular formula C29H37FO and a molecular weight of 420.61 g/mol. Its IUPAC name is 2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1-fluoro-6-prop-2-enoxynaphthalene.

Molecular Properties

Compound Name2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1-fluoro-6-prop-2-enoxynaphthalene
PubChem CID139860510
Molecular FormulaC29H37FO
Molecular Weight420.61 g/mol
Exact Mass420.28
IUPAC Name2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1-fluoro-6-prop-2-enoxynaphthalene
SMILESC=CCCC1CCC(C2CCC(c3ccc4cc(OCC=C)ccc4c3F)CC2)CC1
InChIInChI=1S/C29H37FO/c1-3-5-6-21-7-9-22(10-8-21)23-11-13-24(14-12-23)27-17-15-25-20-26(31-19-4-2)16-18-28(25)29(27)30/h3-4,15-18,20-24H,1-2,5-14,19H2
InChIKeyQDGZLVLJPLTNOR-UHFFFAOYSA-N
XLogP8.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.61
LogP ≤ 58.59
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

1-fluoro-2-(4-pentylcyclohexyl)-6-prop-2-enoxynaphthalene
CID 139862915
1-fluoro-2-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene
CID 139861475
6-but-3-enyl-2-(4-but-3-enylcyclohexyl)-1-fluoronaphthalene
CID 139863366
2-(4-but-3-enylcyclohexyl)-6-ethyl-1-fluoronaphthalene
CID 139861557
3-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-7-ethoxy-1,2-difluoronaphthalene
CID 139862345
2-(4-but-3-enylcyclohexyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene
CID 139861022
2-(4-but-3-enylcyclohexyl)-1-fluoro-6-pentylnaphthalene
CID 139863041
3-[4-(4-ethenylcyclohexyl)cyclohexyl]-1,2-difluoro-7-prop-2-enoxynaphthalene
CID 139862921
1-fluoro-6-methoxy-2-[4-(4-pentylcyclohexyl)cyclohexyl]naphthalene
CID 139863294
6-but-2-enoxy-2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139864036
3-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1,2-difluoro-7-propylnaphthalene
CID 139863228
2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-6-prop-2-enoxynaphthalene
CID 139863023

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1-fluoro-6-prop-2-enoxynaphthalene?
The IUPAC name of 2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1-fluoro-6-prop-2-enoxynaphthalene (CID 139860510) is 2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1-fluoro-6-prop-2-enoxynaphthalene.
What is the SMILES notation for 2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1-fluoro-6-prop-2-enoxynaphthalene?
The canonical SMILES for 2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1-fluoro-6-prop-2-enoxynaphthalene is C=CCCC1CCC(C2CCC(c3ccc4cc(OCC=C)ccc4c3F)CC2)CC1.
What is the InChIKey of 2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1-fluoro-6-prop-2-enoxynaphthalene?
The InChIKey is QDGZLVLJPLTNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37FO/c1-3-5-6-21-7-9-22(10-8-21)23-11-13-24(14-12-23)27-17-15-25-20-26(31-19-4-2)16-18-28(25)29(27)30/h3-4,15-18,20-24H,1-2,5-14,19H2.
What are the key properties of 2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1-fluoro-6-prop-2-enoxynaphthalene?
2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1-fluoro-6-prop-2-enoxynaphthalene has a molecular weight of 420.61 g/mol, XLogP of 8.59, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1-fluoro-6-prop-2-enoxynaphthalene is sourced from PubChem (CID 139860510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).