3-[1,2-difluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]ethenyl]-1,2,8-trifluoro-7-propylnaphthalene

C26H29F5 — CID 139861546

IUPAC3-[1,2-difluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]ethenyl]-1,2,8-trifluoro-7-propylnaphthalene
SMILESC/C=C/CCC1CCC(C(F)=C(F)c2cc3ccc(CCC)c(F)c3c(F)c2F)CC1
InChIInChI=1S/C26H29F5/c1-3-5-6-8-16-9-11-18(12-10-16)23(28)24(29)20-15-19-14-13-17(7-4-2)22(27)21(19)26(31)25(20)30/h3,5,13-16,18H,4,6-12H2,1-2H3/b5-3+,24-23?
InChIKeyXQVWMYCLSGIVMA-DONROWTLSA-N
MW436.51 g/mol
LogP8.98
Rot. Bonds7

About 3-[1,2-difluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]ethenyl]-1,2,8-trifluoro-7-propylnaphthalene

3-[1,2-difluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]ethenyl]-1,2,8-trifluoro-7-propylnaphthalene (PubChem CID 139861546) has the molecular formula C26H29F5 and a molecular weight of 436.51 g/mol. Its IUPAC name is 3-[1,2-difluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]ethenyl]-1,2,8-trifluoro-7-propylnaphthalene.

Molecular Properties

Compound Name3-[1,2-difluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]ethenyl]-1,2,8-trifluoro-7-propylnaphthalene
PubChem CID139861546
Molecular FormulaC26H29F5
Molecular Weight436.51 g/mol
Exact Mass436.22
IUPAC Name3-[1,2-difluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]ethenyl]-1,2,8-trifluoro-7-propylnaphthalene
SMILESC/C=C/CCC1CCC(C(F)=C(F)c2cc3ccc(CCC)c(F)c3c(F)c2F)CC1
InChIInChI=1S/C26H29F5/c1-3-5-6-8-16-9-11-18(12-10-16)23(28)24(29)20-15-19-14-13-17(7-4-2)22(27)21(19)26(31)25(20)30/h3,5,13-16,18H,4,6-12H2,1-2H3/b5-3+,24-23?
InChIKeyXQVWMYCLSGIVMA-DONROWTLSA-N
XLogP8.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-[1,2-difluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]ethenyl]-1,2,8-trifluoro-7-propylnaphthalene 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

3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoro-7-propylnaphthalene
CID 139861492
1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-propylnaphthalene
CID 139863615
7-ethyl-3-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoronaphthalene
CID 139861036
2-but-3-enyl-6-[1,2-difluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]ethenyl]-1-fluoronaphthalene
CID 139860885
1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-pentylnaphthalene
CID 139861400
3-but-3-enyl-7-[2-(4-but-3-enylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoronaphthalene
CID 139861089
1-fluoro-6-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]ethyl]-2-propylnaphthalene
CID 139863231
7-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1,2,8-trifluoro-3-pentylnaphthalene
CID 139863655
3-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoro-7-[(E)-pent-3-enyl]naphthalene
CID 139861346
6-[2-(4-ethylcyclohexyl)-1,2-difluoroethenyl]-1-fluoro-2-propylnaphthalene
CID 139861695
2,3-difluoro-1-[2-fluoro-4-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]ethyl]phenyl]-4-propylbenzene
CID 154607361
1,2,8-trifluoro-7-[(E)-pent-3-enyl]-3-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
CID 22383605

Frequently Asked Questions

What is the IUPAC name of 3-[1,2-difluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]ethenyl]-1,2,8-trifluoro-7-propylnaphthalene?
The IUPAC name of 3-[1,2-difluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]ethenyl]-1,2,8-trifluoro-7-propylnaphthalene (CID 139861546) is 3-[1,2-difluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]ethenyl]-1,2,8-trifluoro-7-propylnaphthalene.
What is the SMILES notation for 3-[1,2-difluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]ethenyl]-1,2,8-trifluoro-7-propylnaphthalene?
The canonical SMILES for 3-[1,2-difluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]ethenyl]-1,2,8-trifluoro-7-propylnaphthalene is C/C=C/CCC1CCC(C(F)=C(F)c2cc3ccc(CCC)c(F)c3c(F)c2F)CC1.
What is the InChIKey of 3-[1,2-difluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]ethenyl]-1,2,8-trifluoro-7-propylnaphthalene?
The InChIKey is XQVWMYCLSGIVMA-DONROWTLSA-N. The full InChI is InChI=1S/C26H29F5/c1-3-5-6-8-16-9-11-18(12-10-16)23(28)24(29)20-15-19-14-13-17(7-4-2)22(27)21(19)26(31)25(20)30/h3,5,13-16,18H,4,6-12H2,1-2H3/b5-3+,24-23?.
What are the key properties of 3-[1,2-difluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]ethenyl]-1,2,8-trifluoro-7-propylnaphthalene?
3-[1,2-difluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]ethenyl]-1,2,8-trifluoro-7-propylnaphthalene has a molecular weight of 436.51 g/mol, XLogP of 8.98, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,2-difluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]ethenyl]-1,2,8-trifluoro-7-propylnaphthalene is sourced from PubChem (CID 139861546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).