1,3,3,3-tetrafluoro-2-(iodomethyl)prop-1-ene

C4H3F4I — CID 174491164

IUPAC1,3,3,3-tetrafluoro-2-(iodomethyl)prop-1-ene
SMILESFC=C(CI)C(F)(F)F
InChIInChI=1S/C4H3F4I/c5-1-3(2-9)4(6,7)8/h1H,2H2
InChIKeyLNYPOLNRYSRHSU-UHFFFAOYSA-N
MW253.96 g/mol
LogP2.84
Rot. Bonds1

About 1,3,3,3-tetrafluoro-2-(iodomethyl)prop-1-ene

1,3,3,3-tetrafluoro-2-(iodomethyl)prop-1-ene (PubChem CID 174491164) has the molecular formula C4H3F4I and a molecular weight of 253.96 g/mol. Its IUPAC name is 1,3,3,3-tetrafluoro-2-(iodomethyl)prop-1-ene.

Molecular Properties

Compound Name1,3,3,3-tetrafluoro-2-(iodomethyl)prop-1-ene
PubChem CID174491164
Molecular FormulaC4H3F4I
Molecular Weight253.96 g/mol
Exact Mass253.92
IUPAC Name1,3,3,3-tetrafluoro-2-(iodomethyl)prop-1-ene
SMILESFC=C(CI)C(F)(F)F
InChIInChI=1S/C4H3F4I/c5-1-3(2-9)4(6,7)8/h1H,2H2
InChIKeyLNYPOLNRYSRHSU-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.96
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,3,3,3-tetrafluoro-2-(iodomethyl)prop-1-ene with MolForge

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

Launch Full Analysis

Related Compounds

3-(1,2-difluoroethenoxy)-1,1,1,2,2-pentafluoropropane
CID 57075811
(E)-3-(trifluoromethyl)hex-2-ene
CID 145226506
(Z)-1-chloro-4-fluoro-2-(trifluoromethyl)but-1-ene
CID 21459272
(2-iodoacetyl) 2,2,2-trifluoroacetate
CID 87858141
(Z)-4-(trifluoromethyl)hept-3-ene
CID 174331610
(E)-1-methoxy-2-(trifluoromethyl)but-1-ene
CID 135181225
1,3,3,4,4-pentafluoro-2-(trifluoromethyl)hex-1-ene
CID 54114051
(E)-5,5-dimethyl-2-(trifluoromethyl)hex-2-en-1-amine
CID 162590268
2,2,2-trifluoro-N-(iodomethyl)acetamide
CID 87708484
(Z)-1,2,3,3,3-pentafluoroprop-1-ene;3,3,3-trifluoroprop-1-ene
CID 158693197
[(E)-2-[(dimethylamino)methyl]-3,3,3-trifluoroprop-1-enyl]-dimethylazanium
CID 102371094
(E)-1,2-dibromo-3,3,3-trifluoroprop-1-ene
CID 11658898

Frequently Asked Questions

What is the IUPAC name of 1,3,3,3-tetrafluoro-2-(iodomethyl)prop-1-ene?
The IUPAC name of 1,3,3,3-tetrafluoro-2-(iodomethyl)prop-1-ene (CID 174491164) is 1,3,3,3-tetrafluoro-2-(iodomethyl)prop-1-ene.
What is the SMILES notation for 1,3,3,3-tetrafluoro-2-(iodomethyl)prop-1-ene?
The canonical SMILES for 1,3,3,3-tetrafluoro-2-(iodomethyl)prop-1-ene is FC=C(CI)C(F)(F)F.
What is the InChIKey of 1,3,3,3-tetrafluoro-2-(iodomethyl)prop-1-ene?
The InChIKey is LNYPOLNRYSRHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F4I/c5-1-3(2-9)4(6,7)8/h1H,2H2.
What are the key properties of 1,3,3,3-tetrafluoro-2-(iodomethyl)prop-1-ene?
1,3,3,3-tetrafluoro-2-(iodomethyl)prop-1-ene has a molecular weight of 253.96 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,3-tetrafluoro-2-(iodomethyl)prop-1-ene is sourced from PubChem (CID 174491164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).