1,1-difluoro-2-(trifluoromethyl)buta-1,3-diene

C5H3F5 — CID 15204769

IUPAC1,1-difluoro-2-(trifluoromethyl)buta-1,3-diene
SMILESC=CC(=C(F)F)C(F)(F)F
InChIInChI=1S/C5H3F5/c1-2-3(4(6)7)5(8,9)10/h2H,1H2
InChIKeyZCDCYQGPJYUNAR-UHFFFAOYSA-N
MW158.07 g/mol
LogP2.89
Rot. Bonds1

About 1,1-difluoro-2-(trifluoromethyl)buta-1,3-diene

1,1-difluoro-2-(trifluoromethyl)buta-1,3-diene (PubChem CID 15204769) has the molecular formula C5H3F5 and a molecular weight of 158.07 g/mol. Its IUPAC name is 1,1-difluoro-2-(trifluoromethyl)buta-1,3-diene.

Molecular Properties

Compound Name1,1-difluoro-2-(trifluoromethyl)buta-1,3-diene
PubChem CID15204769
Molecular FormulaC5H3F5
Molecular Weight158.07 g/mol
Exact Mass158.02
IUPAC Name1,1-difluoro-2-(trifluoromethyl)buta-1,3-diene
SMILESC=CC(=C(F)F)C(F)(F)F
InChIInChI=1S/C5H3F5/c1-2-3(4(6)7)5(8,9)10/h2H,1H2
InChIKeyZCDCYQGPJYUNAR-UHFFFAOYSA-N
XLogP2.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.07
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;(2Z)-3-(trifluoromethyl)penta-2,4-dien-2-ol
CID 145372548
(3Z)-4-(trifluoromethyl)hexa-3,5-dien-3-ol
CID 130281756
ethane;(3E,5E)-4-ethyl-6-methyl-3-(trifluoromethyl)octa-1,3,5,7-tetraene
CID 145071766
ethene;1,1,2,3,3,3-hexafluoroprop-1-ene
CID 87565664
ethene;1,1,3,3,3-pentafluoro-2-(trifluoromethyl)prop-1-ene
CID 88622012
2-fluorobuta-1,3-diene
CID 551655
4-propan-2-yl-1-[(3Z)-4-(trifluoromethyl)hexa-1,3,5-trien-3-yl]piperidine
CID 176552593
1,1,1-trifluoropent-4-ene-2,3-dione
CID 152536588
1,1-difluoroethene;ethenoxyethene;1,1,2,3,3,3-hexafluoroprop-1-ene
CID 174624202
4,5,5,5-tetrafluoro-3-(2-fluoroethyl)penta-1,3-diene
CID 57287420
1,1,1-trifluorobut-3-en-2-ylidenehydrazine
CID 118457579
(Z)-1,2,3,3,3-pentafluoroprop-1-ene;3,3,3-trifluoroprop-1-ene
CID 158693197

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-(trifluoromethyl)buta-1,3-diene?
The IUPAC name of 1,1-difluoro-2-(trifluoromethyl)buta-1,3-diene (CID 15204769) is 1,1-difluoro-2-(trifluoromethyl)buta-1,3-diene.
What is the SMILES notation for 1,1-difluoro-2-(trifluoromethyl)buta-1,3-diene?
The canonical SMILES for 1,1-difluoro-2-(trifluoromethyl)buta-1,3-diene is C=CC(=C(F)F)C(F)(F)F.
What is the InChIKey of 1,1-difluoro-2-(trifluoromethyl)buta-1,3-diene?
The InChIKey is ZCDCYQGPJYUNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F5/c1-2-3(4(6)7)5(8,9)10/h2H,1H2.
What are the key properties of 1,1-difluoro-2-(trifluoromethyl)buta-1,3-diene?
1,1-difluoro-2-(trifluoromethyl)buta-1,3-diene has a molecular weight of 158.07 g/mol, XLogP of 2.89, 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)buta-1,3-diene is sourced from PubChem (CID 15204769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).