1-(1,1,2,3,3-pentafluoroprop-2-enyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C13H17F5 — CID 67894296

IUPAC1-(1,1,2,3,3-pentafluoroprop-2-enyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESFC(F)=C(F)C(F)(F)C1CCCC2CCCCC21
InChIInChI=1S/C13H17F5/c14-11(12(15)16)13(17,18)10-7-3-5-8-4-1-2-6-9(8)10/h8-10H,1-7H2
InChIKeyAHSGYEDULSDIFI-UHFFFAOYSA-N
MW268.27 g/mol
LogP5.31
Rot. Bonds2

About 1-(1,1,2,3,3-pentafluoroprop-2-enyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

1-(1,1,2,3,3-pentafluoroprop-2-enyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 67894296) has the molecular formula C13H17F5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-(1,1,2,3,3-pentafluoroprop-2-enyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name1-(1,1,2,3,3-pentafluoroprop-2-enyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID67894296
Molecular FormulaC13H17F5
Molecular Weight268.27 g/mol
Exact Mass268.13
IUPAC Name1-(1,1,2,3,3-pentafluoroprop-2-enyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESFC(F)=C(F)C(F)(F)C1CCCC2CCCCC21
InChIInChI=1S/C13H17F5/c14-11(12(15)16)13(17,18)10-7-3-5-8-4-1-2-6-9(8)10/h8-10H,1-7H2
InChIKeyAHSGYEDULSDIFI-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,3,3-pentafluoroprop-2-enyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 1-(1,1,2,3,3-pentafluoroprop-2-enyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 67894296) is 1-(1,1,2,3,3-pentafluoroprop-2-enyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 1-(1,1,2,3,3-pentafluoroprop-2-enyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 1-(1,1,2,3,3-pentafluoroprop-2-enyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is FC(F)=C(F)C(F)(F)C1CCCC2CCCCC21.
What is the InChIKey of 1-(1,1,2,3,3-pentafluoroprop-2-enyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is AHSGYEDULSDIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F5/c14-11(12(15)16)13(17,18)10-7-3-5-8-4-1-2-6-9(8)10/h8-10H,1-7H2.
What are the key properties of 1-(1,1,2,3,3-pentafluoroprop-2-enyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
1-(1,1,2,3,3-pentafluoroprop-2-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, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,3,3-pentafluoroprop-2-enyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 67894296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).