3,3-difluoroprop-1-yne

C3HF2- — CID 101376861

IUPAC3,3-difluoroprop-1-yne
SMILES[C-]#CC(F)F
InChIInChI=1S/C3HF2/c1-2-3(4)5/h3H/q-1
InChIKeyQPJUOJHSNZZSNU-UHFFFAOYSA-N
MW75.04 g/mol
LogP0.84
Rot. Bonds

About 3,3-difluoroprop-1-yne

3,3-difluoroprop-1-yne (PubChem CID 101376861) has the molecular formula C3HF2- and a molecular weight of 75.04 g/mol. Its IUPAC name is 3,3-difluoroprop-1-yne.

Molecular Properties

Compound Name3,3-difluoroprop-1-yne
PubChem CID101376861
Molecular FormulaC3HF2-
Molecular Weight75.04 g/mol
Exact Mass75.01
IUPAC Name3,3-difluoroprop-1-yne
SMILES[C-]#CC(F)F
InChIInChI=1S/C3HF2/c1-2-3(4)5/h3H/q-1
InChIKeyQPJUOJHSNZZSNU-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 101376859
CID 101376859
lithium 3-methylbut-1-yne
CID 11007814
1-chloro-3,3-difluoroprop-1-yne
CID 21459291
copper;fluoroform
CID 87139424
CID 172813216
CID 172813216
fluoroform;zinc
CID 160750436
fluoroform;pentahydrofluoride
CID 173242263
fluoroform;manganese(2+)
CID 162541967
fluoroform;hydroiodide
CID 87214980
carbon dioxide;chloro(difluoro)methane
CID 161091167
3,3-difluoro-1-propan-2-ylsulfanylprop-1-yne
CID 4737275
1,1-difluoroethane
CID 6368

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoroprop-1-yne?
The IUPAC name of 3,3-difluoroprop-1-yne (CID 101376861) is 3,3-difluoroprop-1-yne.
What is the SMILES notation for 3,3-difluoroprop-1-yne?
The canonical SMILES for 3,3-difluoroprop-1-yne is [C-]#CC(F)F.
What is the InChIKey of 3,3-difluoroprop-1-yne?
The InChIKey is QPJUOJHSNZZSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF2/c1-2-3(4)5/h3H/q-1.
What are the key properties of 3,3-difluoroprop-1-yne?
3,3-difluoroprop-1-yne has a molecular weight of 75.04 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoroprop-1-yne is sourced from PubChem (CID 101376861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).