7-(4-but-3-enylcyclohexyl)-1,2-difluoro-3-[(E)-pent-3-enyl]naphthalene

C25H30F2 — CID 139863275

IUPAC7-(4-but-3-enylcyclohexyl)-1,2-difluoro-3-[(E)-pent-3-enyl]naphthalene
SMILESC=CCCC1CCC(c2ccc3cc(CC/C=C/C)c(F)c(F)c3c2)CC1
InChIInChI=1S/C25H30F2/c1-3-5-7-9-22-16-21-15-14-20(17-23(21)25(27)24(22)26)19-12-10-18(11-13-19)8-6-4-2/h3-5,14-19H,2,6-13H2,1H3/b5-3+
InChIKeyJFAPSHAABIGZQD-HWKANZROSA-N
MW368.51 g/mol
LogP7.87
Rot. Bonds7

About 7-(4-but-3-enylcyclohexyl)-1,2-difluoro-3-[(E)-pent-3-enyl]naphthalene

7-(4-but-3-enylcyclohexyl)-1,2-difluoro-3-[(E)-pent-3-enyl]naphthalene (PubChem CID 139863275) has the molecular formula C25H30F2 and a molecular weight of 368.51 g/mol. Its IUPAC name is 7-(4-but-3-enylcyclohexyl)-1,2-difluoro-3-[(E)-pent-3-enyl]naphthalene.

Molecular Properties

Compound Name7-(4-but-3-enylcyclohexyl)-1,2-difluoro-3-[(E)-pent-3-enyl]naphthalene
PubChem CID139863275
Molecular FormulaC25H30F2
Molecular Weight368.51 g/mol
Exact Mass368.23
IUPAC Name7-(4-but-3-enylcyclohexyl)-1,2-difluoro-3-[(E)-pent-3-enyl]naphthalene
SMILESC=CCCC1CCC(c2ccc3cc(CC/C=C/C)c(F)c(F)c3c2)CC1
InChIInChI=1S/C25H30F2/c1-3-5-7-9-22-16-21-15-14-20(17-23(21)25(27)24(22)26)19-12-10-18(11-13-19)8-6-4-2/h3-5,14-19H,2,6-13H2,1H3/b5-3+
InChIKeyJFAPSHAABIGZQD-HWKANZROSA-N
XLogP7.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.51
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139863783
3-but-3-enyl-7-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-1,2-difluoronaphthalene
CID 139861848
6-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethynyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139876937
3-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-7-ethyl-1,2-difluoronaphthalene
CID 139863740
7-[(2R,4aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2-difluoro-3-[(E)-pent-3-enyl]naphthalene
CID 20807549
7-(4-but-3-enylcyclohexyl)-3-ethoxy-1,2-difluoronaphthalene
CID 139860599
3-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-1,2-difluoro-7-methoxynaphthalene
CID 139861474
6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139860944
2-(4-but-3-enylcyclohexyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene
CID 139861022
1-fluoro-2-[(E)-pent-3-enyl]-6-(4-pentylcyclohexyl)naphthalene
CID 139862905
6-(4-but-3-enylcyclohexyl)-1-fluoro-2-pentylnaphthalene
CID 139860678
2-but-3-enyl-6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoronaphthalene
CID 139862071

Frequently Asked Questions

What is the IUPAC name of 7-(4-but-3-enylcyclohexyl)-1,2-difluoro-3-[(E)-pent-3-enyl]naphthalene?
The IUPAC name of 7-(4-but-3-enylcyclohexyl)-1,2-difluoro-3-[(E)-pent-3-enyl]naphthalene (CID 139863275) is 7-(4-but-3-enylcyclohexyl)-1,2-difluoro-3-[(E)-pent-3-enyl]naphthalene.
What is the SMILES notation for 7-(4-but-3-enylcyclohexyl)-1,2-difluoro-3-[(E)-pent-3-enyl]naphthalene?
The canonical SMILES for 7-(4-but-3-enylcyclohexyl)-1,2-difluoro-3-[(E)-pent-3-enyl]naphthalene is C=CCCC1CCC(c2ccc3cc(CC/C=C/C)c(F)c(F)c3c2)CC1.
What is the InChIKey of 7-(4-but-3-enylcyclohexyl)-1,2-difluoro-3-[(E)-pent-3-enyl]naphthalene?
The InChIKey is JFAPSHAABIGZQD-HWKANZROSA-N. The full InChI is InChI=1S/C25H30F2/c1-3-5-7-9-22-16-21-15-14-20(17-23(21)25(27)24(22)26)19-12-10-18(11-13-19)8-6-4-2/h3-5,14-19H,2,6-13H2,1H3/b5-3+.
What are the key properties of 7-(4-but-3-enylcyclohexyl)-1,2-difluoro-3-[(E)-pent-3-enyl]naphthalene?
7-(4-but-3-enylcyclohexyl)-1,2-difluoro-3-[(E)-pent-3-enyl]naphthalene has a molecular weight of 368.51 g/mol, XLogP of 7.87, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-but-3-enylcyclohexyl)-1,2-difluoro-3-[(E)-pent-3-enyl]naphthalene is sourced from PubChem (CID 139863275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).