3,3,3-trifluoroprop-1-ene

C6H6F6 — CID 90915807

IUPAC3,3,3-trifluoroprop-1-ene
SMILESC=CC(F)(F)F.C=CC(F)(F)F
InChIInChI=1S/2C3H3F3/c2*1-2-3(4,5)6/h2*2H,1H2
InChIKeyYWWXBKNWRKQHIR-UHFFFAOYSA-N
MW192.10 g/mol
LogP3.47
Rot. Bonds

About 3,3,3-trifluoroprop-1-ene

3,3,3-trifluoroprop-1-ene (PubChem CID 90915807) has the molecular formula C6H6F6 and a molecular weight of 192.10 g/mol. Its IUPAC name is 3,3,3-trifluoroprop-1-ene.

Molecular Properties

Compound Name3,3,3-trifluoroprop-1-ene
PubChem CID90915807
Molecular FormulaC6H6F6
Molecular Weight192.10 g/mol
Exact Mass192.04
IUPAC Name3,3,3-trifluoroprop-1-ene
SMILESC=CC(F)(F)F.C=CC(F)(F)F
InChIInChI=1S/2C3H3F3/c2*1-2-3(4,5)6/h2*2H,1H2
InChIKeyYWWXBKNWRKQHIR-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.10
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoroprop-1-ene?
The IUPAC name of 3,3,3-trifluoroprop-1-ene (CID 90915807) is 3,3,3-trifluoroprop-1-ene.
What is the SMILES notation for 3,3,3-trifluoroprop-1-ene?
The canonical SMILES for 3,3,3-trifluoroprop-1-ene is C=CC(F)(F)F.C=CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoroprop-1-ene?
The InChIKey is YWWXBKNWRKQHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H3F3/c2*1-2-3(4,5)6/h2*2H,1H2.
What are the key properties of 3,3,3-trifluoroprop-1-ene?
3,3,3-trifluoroprop-1-ene has a molecular weight of 192.10 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoroprop-1-ene is sourced from PubChem (CID 90915807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).