3,3,3-trifluoro-2-iodoprop-1-ene

C3H2F3I — CID 2775199

IUPAC3,3,3-trifluoro-2-iodoprop-1-ene
SMILESC=C(I)C(F)(F)F
InChIInChI=1S/C3H2F3I/c1-2(7)3(4,5)6/h1H2
InChIKeyLHRSMHZCHIDYBT-UHFFFAOYSA-N
MW221.95 g/mol
LogP2.50
Rot. Bonds

About 3,3,3-trifluoro-2-iodoprop-1-ene

3,3,3-trifluoro-2-iodoprop-1-ene (PubChem CID 2775199) has the molecular formula C3H2F3I and a molecular weight of 221.95 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-iodoprop-1-ene.

Molecular Properties

Compound Name3,3,3-trifluoro-2-iodoprop-1-ene
PubChem CID2775199
Molecular FormulaC3H2F3I
Molecular Weight221.95 g/mol
Exact Mass221.92
IUPAC Name3,3,3-trifluoro-2-iodoprop-1-ene
SMILESC=C(I)C(F)(F)F
InChIInChI=1S/C3H2F3I/c1-2(7)3(4,5)6/h1H2
InChIKeyLHRSMHZCHIDYBT-UHFFFAOYSA-N
XLogP2.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.95
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-iodoprop-1-ene?
The IUPAC name of 3,3,3-trifluoro-2-iodoprop-1-ene (CID 2775199) is 3,3,3-trifluoro-2-iodoprop-1-ene.
What is the SMILES notation for 3,3,3-trifluoro-2-iodoprop-1-ene?
The canonical SMILES for 3,3,3-trifluoro-2-iodoprop-1-ene is C=C(I)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-iodoprop-1-ene?
The InChIKey is LHRSMHZCHIDYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F3I/c1-2(7)3(4,5)6/h1H2.
What are the key properties of 3,3,3-trifluoro-2-iodoprop-1-ene?
3,3,3-trifluoro-2-iodoprop-1-ene has a molecular weight of 221.95 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-iodoprop-1-ene is sourced from PubChem (CID 2775199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).