2-fluoro-3-(trifluoromethyl)buta-1,3-diene;trihydrofluoride

C5H7F7 — CID 174047890

IUPAC2-fluoro-3-(trifluoromethyl)buta-1,3-diene;trihydrofluoride
SMILESC=C(F)C(=C)C(F)(F)F.F.F.F
InChIInChI=1S/C5H4F4.3FH/c1-3(4(2)6)5(7,8)9;;;/h1-2H2;3*1H
InChIKeyYBRYMGVKVUYBDH-UHFFFAOYSA-N
MW200.10 g/mol
LogP3.05
Rot. Bonds1

About 2-fluoro-3-(trifluoromethyl)buta-1,3-diene;trihydrofluoride

2-fluoro-3-(trifluoromethyl)buta-1,3-diene;trihydrofluoride (PubChem CID 174047890) has the molecular formula C5H7F7 and a molecular weight of 200.10 g/mol. Its IUPAC name is 2-fluoro-3-(trifluoromethyl)buta-1,3-diene;trihydrofluoride.

Molecular Properties

Compound Name2-fluoro-3-(trifluoromethyl)buta-1,3-diene;trihydrofluoride
PubChem CID174047890
Molecular FormulaC5H7F7
Molecular Weight200.10 g/mol
Exact Mass200.04
IUPAC Name2-fluoro-3-(trifluoromethyl)buta-1,3-diene;trihydrofluoride
SMILESC=C(F)C(=C)C(F)(F)F.F.F.F
InChIInChI=1S/C5H4F4.3FH/c1-3(4(2)6)5(7,8)9;;;/h1-2H2;3*1H
InChIKeyYBRYMGVKVUYBDH-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.10
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(trifluoromethyl)buta-1,3-diene;trihydrofluoride?
The IUPAC name of 2-fluoro-3-(trifluoromethyl)buta-1,3-diene;trihydrofluoride (CID 174047890) is 2-fluoro-3-(trifluoromethyl)buta-1,3-diene;trihydrofluoride.
What is the SMILES notation for 2-fluoro-3-(trifluoromethyl)buta-1,3-diene;trihydrofluoride?
The canonical SMILES for 2-fluoro-3-(trifluoromethyl)buta-1,3-diene;trihydrofluoride is C=C(F)C(=C)C(F)(F)F.F.F.F.
What is the InChIKey of 2-fluoro-3-(trifluoromethyl)buta-1,3-diene;trihydrofluoride?
The InChIKey is YBRYMGVKVUYBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F4.3FH/c1-3(4(2)6)5(7,8)9;;;/h1-2H2;3*1H.
What are the key properties of 2-fluoro-3-(trifluoromethyl)buta-1,3-diene;trihydrofluoride?
2-fluoro-3-(trifluoromethyl)buta-1,3-diene;trihydrofluoride has a molecular weight of 200.10 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(trifluoromethyl)buta-1,3-diene;trihydrofluoride is sourced from PubChem (CID 174047890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).