1-fluoro-1-iodopropa-1,2-diene

C3H2FI — CID 174509276

IUPAC1-fluoro-1-iodopropa-1,2-diene
SMILESC=C=C(F)I
InChIInChI=1S/C3H2FI/c1-2-3(4)5/h1H2
InChIKeyXMIPJQPCRHKHNH-UHFFFAOYSA-N
MW183.95 g/mol
LogP2.02
Rot. Bonds

About 1-fluoro-1-iodopropa-1,2-diene

1-fluoro-1-iodopropa-1,2-diene (PubChem CID 174509276) has the molecular formula C3H2FI and a molecular weight of 183.95 g/mol. Its IUPAC name is 1-fluoro-1-iodopropa-1,2-diene.

Molecular Properties

Compound Name1-fluoro-1-iodopropa-1,2-diene
PubChem CID174509276
Molecular FormulaC3H2FI
Molecular Weight183.95 g/mol
Exact Mass183.92
IUPAC Name1-fluoro-1-iodopropa-1,2-diene
SMILESC=C=C(F)I
InChIInChI=1S/C3H2FI/c1-2-3(4)5/h1H2
InChIKeyXMIPJQPCRHKHNH-UHFFFAOYSA-N
XLogP2.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.95
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-fluoro-1-iodopropa-1,2-diene 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

ethene;3,4,4,4-tetrafluorobuta-1,2-diene
CID 175238449
lithium;3,4-difluorobuta-1,2-diene;hydride
CID 174951688
propa-1,2-diene-1,1-dithiol
CID 88814621
1-chloro-1,2,2-trifluoroethene;ethenone
CID 159920563
N-buta-2,3-dien-2-ylmethanimine
CID 123979076
fluoroethane;3-methylbuta-1,2-diene
CID 143722079
buta-2,3-diene-1,1,1,2-tetrathiol
CID 87473815
1,1-difluoroethene;propa-1,2-diene;1,1,2-trifluoroethene
CID 174819454
disodium;propa-1,2-diene-1,1-diolate
CID 163406175
1-fluoro-1-iodoprop-1-ene
CID 175825519
1-fluoro-1-iodo-2-methylprop-1-ene
CID 118348659
3,13-diiodotrideca-1,2-diene
CID 90047143

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-iodopropa-1,2-diene?
The IUPAC name of 1-fluoro-1-iodopropa-1,2-diene (CID 174509276) is 1-fluoro-1-iodopropa-1,2-diene.
What is the SMILES notation for 1-fluoro-1-iodopropa-1,2-diene?
The canonical SMILES for 1-fluoro-1-iodopropa-1,2-diene is C=C=C(F)I.
What is the InChIKey of 1-fluoro-1-iodopropa-1,2-diene?
The InChIKey is XMIPJQPCRHKHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2FI/c1-2-3(4)5/h1H2.
What are the key properties of 1-fluoro-1-iodopropa-1,2-diene?
1-fluoro-1-iodopropa-1,2-diene has a molecular weight of 183.95 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-iodopropa-1,2-diene is sourced from PubChem (CID 174509276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).