1,1,3,3,4,4,4-heptafluoro-2-(trifluoromethyl)but-1-ene

C5F10 — CID 12576087

IUPAC1,1,3,3,4,4,4-heptafluoro-2-(trifluoromethyl)but-1-ene
SMILESFC(F)=C(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5F10/c6-2(7)1(4(10,11)12)3(8,9)5(13,14)15
InChIKeyPTZOTZXEUNFYKG-UHFFFAOYSA-N
MW250.03 g/mol
LogP3.90
Rot. Bonds1

About 1,1,3,3,4,4,4-heptafluoro-2-(trifluoromethyl)but-1-ene

1,1,3,3,4,4,4-heptafluoro-2-(trifluoromethyl)but-1-ene (PubChem CID 12576087) has the molecular formula C5F10 and a molecular weight of 250.03 g/mol. Its IUPAC name is 1,1,3,3,4,4,4-heptafluoro-2-(trifluoromethyl)but-1-ene.

Molecular Properties

Compound Name1,1,3,3,4,4,4-heptafluoro-2-(trifluoromethyl)but-1-ene
PubChem CID12576087
Molecular FormulaC5F10
Molecular Weight250.03 g/mol
Exact Mass249.98
IUPAC Name1,1,3,3,4,4,4-heptafluoro-2-(trifluoromethyl)but-1-ene
SMILESFC(F)=C(C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5F10/c6-2(7)1(4(10,11)12)3(8,9)5(13,14)15
InChIKeyPTZOTZXEUNFYKG-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.03
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,4,4,4-heptafluoro-2-(trifluoromethyl)but-1-ene?
The IUPAC name of 1,1,3,3,4,4,4-heptafluoro-2-(trifluoromethyl)but-1-ene (CID 12576087) is 1,1,3,3,4,4,4-heptafluoro-2-(trifluoromethyl)but-1-ene.
What is the SMILES notation for 1,1,3,3,4,4,4-heptafluoro-2-(trifluoromethyl)but-1-ene?
The canonical SMILES for 1,1,3,3,4,4,4-heptafluoro-2-(trifluoromethyl)but-1-ene is FC(F)=C(C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,3,3,4,4,4-heptafluoro-2-(trifluoromethyl)but-1-ene?
The InChIKey is PTZOTZXEUNFYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F10/c6-2(7)1(4(10,11)12)3(8,9)5(13,14)15.
What are the key properties of 1,1,3,3,4,4,4-heptafluoro-2-(trifluoromethyl)but-1-ene?
1,1,3,3,4,4,4-heptafluoro-2-(trifluoromethyl)but-1-ene has a molecular weight of 250.03 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,4,4,4-heptafluoro-2-(trifluoromethyl)but-1-ene is sourced from PubChem (CID 12576087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).