1-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3a,4,7,7a-tetrahydroindene

C12H10F6 — CID 23264815

IUPAC1-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3a,4,7,7a-tetrahydroindene
SMILESFC(F)(F)C(=C1C=CC2CC=CCC12)C(F)(F)F
InChIInChI=1S/C12H10F6/c13-11(14,15)10(12(16,17)18)9-6-5-7-3-1-2-4-8(7)9/h1-2,5-8H,3-4H2
InChIKeyZQVFKQSCEKLVRN-UHFFFAOYSA-N
MW268.20 g/mol
LogP4.56
Rot. Bonds

About 1-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3a,4,7,7a-tetrahydroindene

1-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3a,4,7,7a-tetrahydroindene (PubChem CID 23264815) has the molecular formula C12H10F6 and a molecular weight of 268.20 g/mol. Its IUPAC name is 1-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3a,4,7,7a-tetrahydroindene.

Molecular Properties

Compound Name1-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3a,4,7,7a-tetrahydroindene
PubChem CID23264815
Molecular FormulaC12H10F6
Molecular Weight268.20 g/mol
Exact Mass268.07
IUPAC Name1-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3a,4,7,7a-tetrahydroindene
SMILESFC(F)(F)C(=C1C=CC2CC=CCC12)C(F)(F)F
InChIInChI=1S/C12H10F6/c13-11(14,15)10(12(16,17)18)9-6-5-7-3-1-2-4-8(7)9/h1-2,5-8H,3-4H2
InChIKeyZQVFKQSCEKLVRN-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3a,4,7,7a-tetrahydroindene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3a,4,7,7a-tetrahydroindene?
The IUPAC name of 1-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3a,4,7,7a-tetrahydroindene (CID 23264815) is 1-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3a,4,7,7a-tetrahydroindene.
What is the SMILES notation for 1-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3a,4,7,7a-tetrahydroindene?
The canonical SMILES for 1-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3a,4,7,7a-tetrahydroindene is FC(F)(F)C(=C1C=CC2CC=CCC12)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3a,4,7,7a-tetrahydroindene?
The InChIKey is ZQVFKQSCEKLVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F6/c13-11(14,15)10(12(16,17)18)9-6-5-7-3-1-2-4-8(7)9/h1-2,5-8H,3-4H2.
What are the key properties of 1-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3a,4,7,7a-tetrahydroindene?
1-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3a,4,7,7a-tetrahydroindene has a molecular weight of 268.20 g/mol, XLogP of 4.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-3a,4,7,7a-tetrahydroindene is sourced from PubChem (CID 23264815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).