(2S,4aS,8aR)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C13H17F5 — CID 10516029

IUPAC(2S,4aS,8aR)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESF/C(=C(\F)C(F)(F)F)[C@H]1CC[C@@H]2CCCC[C@@H]2C1
InChIInChI=1S/C13H17F5/c14-11(12(15)13(16,17)18)10-6-5-8-3-1-2-4-9(8)7-10/h8-10H,1-7H2/b12-11-/t8-,9+,10-/m0/s1
InChIKeyFGVJYZAFECDMCR-DYTIBLMNSA-N
MW268.27 g/mol
LogP5.31
Rot. Bonds1

About (2S,4aS,8aR)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

(2S,4aS,8aR)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 10516029) has the molecular formula C13H17F5 and a molecular weight of 268.27 g/mol. Its IUPAC name is (2S,4aS,8aR)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name(2S,4aS,8aR)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID10516029
Molecular FormulaC13H17F5
Molecular Weight268.27 g/mol
Exact Mass268.13
IUPAC Name(2S,4aS,8aR)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESF/C(=C(\F)C(F)(F)F)[C@H]1CC[C@@H]2CCCC[C@@H]2C1
InChIInChI=1S/C13H17F5/c14-11(12(15)13(16,17)18)10-6-5-8-3-1-2-4-9(8)7-10/h8-10H,1-7H2/b12-11-/t8-,9+,10-/m0/s1
InChIKeyFGVJYZAFECDMCR-DYTIBLMNSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.27
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (2S,4aS,8aR)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene with MolForge

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Related Compounds

1,4-Ethanonaphthalene, 1,2,3,4,9,9,10,10-octafluoro-1,4,4a,5,6,7,8,8a-octahydro-
CID 549032
1,4-Ethanonaphthalene, 1,2,3,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1,4,4a,5,6,7,8,8a-octahydro-
CID 608175
8a-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 10492093
(2R,4aR,8aR)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 10539814
(1R,4aS,8aS)-1-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 10730595
2-Methyl-6-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58665446
1,2,3,3,3-Pentafluoro-1-[(1beta)-4alpha-[(1alpha)-4beta-pentylcyclohexyl]cyclohexyl]-1-propene
CID 58665457
1-butyl-4-[4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]cyclohexyl]cyclohexane
CID 58665471
1,2,3,3,3-Pentafluoro-1-[(1beta)-4alpha-[(1alpha)-4beta-propylcyclohexyl]cyclohexyl]-1-propene
CID 58665518
1-(1,1,2,3,3-Pentafluoroprop-2-enyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67894296
1-(1,2,3,3,3-Pentafluoroprop-1-enyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 74060331
1-(1,2,3,3,3-Pentafluoroprop-1-enyl)-4-(4-propylcyclohexyl)cyclohexane
CID 74060332

Frequently Asked Questions

What is the IUPAC name of (2S,4aS,8aR)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of (2S,4aS,8aR)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 10516029) is (2S,4aS,8aR)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for (2S,4aS,8aR)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for (2S,4aS,8aR)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is F/C(=C(\F)C(F)(F)F)[C@H]1CC[C@@H]2CCCC[C@@H]2C1.
What is the InChIKey of (2S,4aS,8aR)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is FGVJYZAFECDMCR-DYTIBLMNSA-N. The full InChI is InChI=1S/C13H17F5/c14-11(12(15)13(16,17)18)10-6-5-8-3-1-2-4-9(8)7-10/h8-10H,1-7H2/b12-11-/t8-,9+,10-/m0/s1.
What are the key properties of (2S,4aS,8aR)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
(2S,4aS,8aR)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 268.27 g/mol, XLogP of 5.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4aS,8aR)-2-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 10516029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).