1,1-difluoro-2-(trifluoromethyl)but-1-ene

C5H5F5 — CID 13115975

IUPAC1,1-difluoro-2-(trifluoromethyl)but-1-ene
SMILESCCC(=C(F)F)C(F)(F)F
InChIInChI=1S/C5H5F5/c1-2-3(4(6)7)5(8,9)10/h2H2,1H3
InChIKeyHQSLQHWQSCIMJF-UHFFFAOYSA-N
MW160.09 g/mol
LogP3.11
Rot. Bonds1

About 1,1-difluoro-2-(trifluoromethyl)but-1-ene

1,1-difluoro-2-(trifluoromethyl)but-1-ene (PubChem CID 13115975) has the molecular formula C5H5F5 and a molecular weight of 160.09 g/mol. Its IUPAC name is 1,1-difluoro-2-(trifluoromethyl)but-1-ene.

Molecular Properties

Compound Name1,1-difluoro-2-(trifluoromethyl)but-1-ene
PubChem CID13115975
Molecular FormulaC5H5F5
Molecular Weight160.09 g/mol
Exact Mass160.03
IUPAC Name1,1-difluoro-2-(trifluoromethyl)but-1-ene
SMILESCCC(=C(F)F)C(F)(F)F
InChIInChI=1S/C5H5F5/c1-2-3(4(6)7)5(8,9)10/h2H2,1H3
InChIKeyHQSLQHWQSCIMJF-UHFFFAOYSA-N
XLogP3.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.09
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,1-difluoro-2-(trifluoromethyl)but-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,4,4,4-Pentafluoro-2-(trifluoromethyl)but-1-ene
CID 45933683
2,3-Bis(trifluoromethyl)-1,3-butadiene
CID 85966595
1-Butene, 1,1-difluoro-2-methyl-
CID 10975428
4,4,4-Trifluoro-2-methylbut-1-ene
CID 14985016
2-(Trifluoromethyl)but-1-ene
CID 20793150
1,1,3,3-Tetrafluoro-2-methyl-1-propene
CID 23233337
1,1,1-Trifluoro-4-methyl-2-(trifluoromethyl)penta-2,3-diene
CID 23235218
1,1,4,4,5,5,5-Heptafluoro-2-methylpent-1-ene
CID 23266238
3,3,4,4,4-Pentafluoro-2-(trifluoromethyl)-1-butene
CID 10899977
1,1,4,4-Tetrafluoro-2-methylbuta-1,3-diene
CID 13759155
1,1,1,2-Tetrafluoro-3-methylbut-2-ene
CID 13862021
3-(Difluoromethylidene)pentane
CID 15761369

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-(trifluoromethyl)but-1-ene?
The IUPAC name of 1,1-difluoro-2-(trifluoromethyl)but-1-ene (CID 13115975) is 1,1-difluoro-2-(trifluoromethyl)but-1-ene.
What is the SMILES notation for 1,1-difluoro-2-(trifluoromethyl)but-1-ene?
The canonical SMILES for 1,1-difluoro-2-(trifluoromethyl)but-1-ene is CCC(=C(F)F)C(F)(F)F.
What is the InChIKey of 1,1-difluoro-2-(trifluoromethyl)but-1-ene?
The InChIKey is HQSLQHWQSCIMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F5/c1-2-3(4(6)7)5(8,9)10/h2H2,1H3.
What are the key properties of 1,1-difluoro-2-(trifluoromethyl)but-1-ene?
1,1-difluoro-2-(trifluoromethyl)but-1-ene has a molecular weight of 160.09 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-(trifluoromethyl)but-1-ene is sourced from PubChem (CID 13115975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).