1,3-difluoropropa-1,2-diene

C3HF2- — CID 101376862

IUPAC1,3-difluoropropa-1,2-diene
SMILESF[C-]=C=CF
InChIInChI=1S/C3HF2/c4-2-1-3-5/h2H/q-1
InChIKeyTXYLLBIPGMBIQB-UHFFFAOYSA-N
MW75.04 g/mol
LogP1.35
Rot. Bonds

About 1,3-difluoropropa-1,2-diene

1,3-difluoropropa-1,2-diene (PubChem CID 101376862) has the molecular formula C3HF2- and a molecular weight of 75.04 g/mol. Its IUPAC name is 1,3-difluoropropa-1,2-diene.

Molecular Properties

Compound Name1,3-difluoropropa-1,2-diene
PubChem CID101376862
Molecular FormulaC3HF2-
Molecular Weight75.04 g/mol
Exact Mass75.01
IUPAC Name1,3-difluoropropa-1,2-diene
SMILESF[C-]=C=CF
InChIInChI=1S/C3HF2/c4-2-1-3-5/h2H/q-1
InChIKeyTXYLLBIPGMBIQB-UHFFFAOYSA-N
XLogP1.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.04
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,3-difluoropropa-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

1,1-Difluoro-1,2-propadiene
CID 136273
1,2-Propadiene, 1-fluoro-
CID 637949
1,1,3-Trifluoropropadiene
CID 21718125
1,3-Difluoroallene
CID 12590904
1,2,3-Trifluoroprop-1-ene
CID 17859654
(Z)-1,2,3-trifluoroprop-1-ene
CID 45933719
CID 53395685
CID 53395685
Rutherfordium;3,3,3-trifluoroprop-1-ene
CID 59881381
1,4-Difluorobuta-1,2,3-triene
CID 102573056
2,3,3-Trifluoro-2-propenyl
CID 53628258
CID 85802001
CID 85802001
CID 101594221
CID 101594221

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoropropa-1,2-diene?
The IUPAC name of 1,3-difluoropropa-1,2-diene (CID 101376862) is 1,3-difluoropropa-1,2-diene.
What is the SMILES notation for 1,3-difluoropropa-1,2-diene?
The canonical SMILES for 1,3-difluoropropa-1,2-diene is F[C-]=C=CF.
What is the InChIKey of 1,3-difluoropropa-1,2-diene?
The InChIKey is TXYLLBIPGMBIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF2/c4-2-1-3-5/h2H/q-1.
What are the key properties of 1,3-difluoropropa-1,2-diene?
1,3-difluoropropa-1,2-diene has a molecular weight of 75.04 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoropropa-1,2-diene is sourced from PubChem (CID 101376862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).