lithium 3,3-difluoroprop-1-ene

C3H3F2Li — CID 12591131

IUPAClithium 3,3-difluoroprop-1-ene
SMILESC=C[C-](F)F.[Li+]
InChIInChI=1S/C3H3F2.Li/c1-2-3(4)5;/h2H,1H2;/q-1;+1
InChIKeyJQDRITWEZBCYDH-UHFFFAOYSA-N
MW83.99 g/mol
LogP-1.40
Rot. Bonds1

About lithium 3,3-difluoroprop-1-ene

lithium 3,3-difluoroprop-1-ene (PubChem CID 12591131) has the molecular formula C3H3F2Li and a molecular weight of 83.99 g/mol. Its IUPAC name is lithium 3,3-difluoroprop-1-ene.

Molecular Properties

Compound Namelithium 3,3-difluoroprop-1-ene
PubChem CID12591131
Molecular FormulaC3H3F2Li
Molecular Weight83.99 g/mol
Exact Mass84.04
IUPAC Namelithium 3,3-difluoroprop-1-ene
SMILESC=C[C-](F)F.[Li+]
InChIInChI=1S/C3H3F2.Li/c1-2-3(4)5;/h2H,1H2;/q-1;+1
InChIKeyJQDRITWEZBCYDH-UHFFFAOYSA-N
XLogP-1.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.99
LogP ≤ 5-1.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-Trifluoropropene
CID 12672
Trans-1,3,3,3-tetrafluoropropene
CID 5708720
1,3,3,3-Tetrafluoropropene
CID 2776729
1,3,3,3-Tetrafluoropropene, (1Z)-
CID 11116025
3,3-Difluorocyclopropene
CID 23234305
1,3,3-Trifluoro-1-propene
CID 6365375
1,1,3-Trifluoroprop-1-ene
CID 22956412
1-Propene, 1,3,3-trifluoro-, (Z)-
CID 50938809
alpha-(Trifluoromethyl)vinyllithium
CID 85690328
1-(Trifluoromethyl)vinyllithium
CID 101388256
Difluoroallyllithium
CID 12520956
1,3,3-Trifluoroprop-1-ene
CID 3015636

Frequently Asked Questions

What is the IUPAC name of lithium 3,3-difluoroprop-1-ene?
The IUPAC name of lithium 3,3-difluoroprop-1-ene (CID 12591131) is lithium 3,3-difluoroprop-1-ene.
What is the SMILES notation for lithium 3,3-difluoroprop-1-ene?
The canonical SMILES for lithium 3,3-difluoroprop-1-ene is C=C[C-](F)F.[Li+].
What is the InChIKey of lithium 3,3-difluoroprop-1-ene?
The InChIKey is JQDRITWEZBCYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F2.Li/c1-2-3(4)5;/h2H,1H2;/q-1;+1.
What are the key properties of lithium 3,3-difluoroprop-1-ene?
lithium 3,3-difluoroprop-1-ene has a molecular weight of 83.99 g/mol, XLogP of -1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3,3-difluoroprop-1-ene is sourced from PubChem (CID 12591131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).