8a-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene

C13H17F5 — CID 10492093

IUPAC8a-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
SMILESF/C(=C(\F)C12CCCCC1CCCC2)C(F)(F)F
InChIInChI=1S/C13H17F5/c14-10(11(15)13(16,17)18)12-7-3-1-5-9(12)6-2-4-8-12/h9H,1-8H2/b11-10-
InChIKeyUKIUDYSQFZOQGV-KHPPLWFESA-N
MW268.27 g/mol
LogP5.45
Rot. Bonds1

About 8a-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene

8a-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene (PubChem CID 10492093) has the molecular formula C13H17F5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 8a-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene.

Molecular Properties

Compound Name8a-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
PubChem CID10492093
Molecular FormulaC13H17F5
Molecular Weight268.27 g/mol
Exact Mass268.13
IUPAC Name8a-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
SMILESF/C(=C(\F)C12CCCCC1CCCC2)C(F)(F)F
InChIInChI=1S/C13H17F5/c14-10(11(15)13(16,17)18)12-7-3-1-5-9(12)6-2-4-8-12/h9H,1-8H2/b11-10-
InChIKeyUKIUDYSQFZOQGV-KHPPLWFESA-N
XLogP5.45
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 ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 8a-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene 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
(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
(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
1-(1,1,2,3,3-Pentafluoroprop-2-enyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67894296
7,8-Bis(trifluoromethyl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene
CID 87947834
(1S,4aR,8aS)-1-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 10849478

Frequently Asked Questions

What is the IUPAC name of 8a-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
The IUPAC name of 8a-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene (CID 10492093) is 8a-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene.
What is the SMILES notation for 8a-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
The canonical SMILES for 8a-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene is F/C(=C(\F)C12CCCCC1CCCC2)C(F)(F)F.
What is the InChIKey of 8a-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
The InChIKey is UKIUDYSQFZOQGV-KHPPLWFESA-N. The full InChI is InChI=1S/C13H17F5/c14-10(11(15)13(16,17)18)12-7-3-1-5-9(12)6-2-4-8-12/h9H,1-8H2/b11-10-.
What are the key properties of 8a-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
8a-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene has a molecular weight of 268.27 g/mol, XLogP of 5.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene is sourced from PubChem (CID 10492093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).