CID 5370978

C3F3 — CID 5370978

IUPAC—
SMILES[C]#CC(F)(F)F
InChIInChI=1S/C3F3/c1-2-3(4,5)6
InChIKeyJLRUBDSTFXJGLA-UHFFFAOYSA-N
MW93.03 g/mol
LogP1.14
Rot. Bonds

About CID 5370978

CID 5370978 (PubChem CID 5370978) has the molecular formula C3F3 and a molecular weight of 93.03 g/mol.

Molecular Properties

Compound NameCID 5370978
PubChem CID5370978
Molecular FormulaC3F3
Molecular Weight93.03 g/mol
Exact Mass93.00
IUPAC Name—
SMILES[C]#CC(F)(F)F
InChIInChI=1S/C3F3/c1-2-3(4,5)6
InChIKeyJLRUBDSTFXJGLA-UHFFFAOYSA-N
XLogP1.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.03
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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carbon monoxide;1,1,1,4,4,4-hexafluorobut-2-yne;ruthenium
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formaldehyde;1,1,1,4,4,4-hexafluorobut-2-yne;palladium
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CID 91719489
CID 87149172
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iron;tetrafluoromethane
CID 87267345
pentafluoro(3,3,3-trifluoroprop-1-ynyl)-λ6-sulfane
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CID 101376859
CID 101376859

Frequently Asked Questions

What is the IUPAC name of CID 5370978?
The IUPAC name of CID 5370978 (CID 5370978) is not available.
What is the SMILES notation for CID 5370978?
The canonical SMILES for CID 5370978 is [C]#CC(F)(F)F.
What is the InChIKey of CID 5370978?
The InChIKey is JLRUBDSTFXJGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F3/c1-2-3(4,5)6.
What are the key properties of CID 5370978?
CID 5370978 has a molecular weight of 93.03 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5370978 is sourced from PubChem (CID 5370978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).