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

C28H35F3 — CID 22383605

IUPAC1,2,8-trifluoro-7-[(E)-pent-3-enyl]-3-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
SMILESC/C=C/CCc1ccc2cc(C3CCC4CC(CCC)CCC4C3)c(F)c(F)c2c1F
InChIInChI=1S/C28H35F3/c1-3-5-6-8-19-11-14-23-17-24(27(30)28(31)25(23)26(19)29)22-13-12-20-15-18(7-4-2)9-10-21(20)16-22/h3,5,11,14,17-18,20-22H,4,6-10,12-13,15-16H2,1-2H3/b5-3+
InChIKeyHELPWBAUTQLMHG-HWKANZROSA-N
MW428.58 g/mol
LogP8.87
Rot. Bonds6

About 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

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 (PubChem CID 22383605) has the molecular formula C28H35F3 and a molecular weight of 428.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,2,8-trifluoro-7-[(E)-pent-3-enyl]-3-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
PubChem CID22383605
Molecular FormulaC28H35F3
Molecular Weight428.58 g/mol
Exact Mass428.27
IUPAC Name1,2,8-trifluoro-7-[(E)-pent-3-enyl]-3-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
SMILESC/C=C/CCc1ccc2cc(C3CCC4CC(CCC)CCC4C3)c(F)c(F)c2c1F
InChIInChI=1S/C28H35F3/c1-3-5-6-8-19-11-14-23-17-24(27(30)28(31)25(23)26(19)29)22-13-12-20-15-18(7-4-2)9-10-21(20)16-22/h3,5,11,14,17-18,20-22H,4,6-10,12-13,15-16H2,1-2H3/b5-3+
InChIKeyHELPWBAUTQLMHG-HWKANZROSA-N
XLogP8.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

3-[(2R,4aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-7-but-3-enyl-1,2,8-trifluoronaphthalene
CID 20807500
6-[(2R,4aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,8-difluoro-2-[(E)-pent-3-enyl]naphthalene
CID 20807754
7-[(E)-but-2-enoxy]-1,2,8-trifluoro-3-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
CID 70228369
7-[(E)-but-2-enoxy]-1,2,8-trifluoro-3-(6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
CID 22383047
2-but-3-enyl-1,7-difluoro-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
CID 22383010
1-fluoro-6-(6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-[(E)-pent-3-enyl]naphthalene
CID 22383200
1,7-difluoro-6-[(E)-pent-3-enyl]-2-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
CID 22385078
2-[(2R,4aR)-6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,7-difluoro-6-[(E)-pent-3-enyl]naphthalene
CID 20807716
2-[(2R,4aR)-6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,8-difluoro-6-[(E)-pent-3-enyl]naphthalene
CID 20807780
7,8-difluoro-6-[6-[(E)-pent-3-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-propyl-1,2,3,4-tetrahydronaphthalene
CID 139865867
3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-propylnaphthalene
CID 139861965
1,3-difluoro-2-[(E)-pent-3-enyl]-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
CID 22384669

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C/C=C/CCc1ccc2cc(C3CCC4CC(CCC)CCC4C3)c(F)c(F)c2c1F.
What is the InChIKey of 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?
The InChIKey is HELPWBAUTQLMHG-HWKANZROSA-N. The full InChI is InChI=1S/C28H35F3/c1-3-5-6-8-19-11-14-23-17-24(27(30)28(31)25(23)26(19)29)22-13-12-20-15-18(7-4-2)9-10-21(20)16-22/h3,5,11,14,17-18,20-22H,4,6-10,12-13,15-16H2,1-2H3/b5-3+.
What are the key properties of 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?
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 has a molecular weight of 428.58 g/mol, XLogP of 8.87, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 22383605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).