1,4,4-trifluorobut-1-ene;4,4,4-trifluorobut-1-ene

C8H10F6 — CID 160696871

IUPAC1,4,4-trifluorobut-1-ene;4,4,4-trifluorobut-1-ene
SMILESC=CCC(F)(F)F.FC=CCC(F)F
InChIInChI=1S/2C4H5F3/c1-2-3-4(5,6)7;5-3-1-2-4(6)7/h2H,1,3H2;1,3-4H,2H2
InChIKeyRQCNLICXYQQXMF-UHFFFAOYSA-N
MW220.16 g/mol
LogP4.25
Rot. Bonds3

About 1,4,4-trifluorobut-1-ene;4,4,4-trifluorobut-1-ene

1,4,4-trifluorobut-1-ene;4,4,4-trifluorobut-1-ene (PubChem CID 160696871) has the molecular formula C8H10F6 and a molecular weight of 220.16 g/mol. Its IUPAC name is 1,4,4-trifluorobut-1-ene;4,4,4-trifluorobut-1-ene.

Molecular Properties

Compound Name1,4,4-trifluorobut-1-ene;4,4,4-trifluorobut-1-ene
PubChem CID160696871
Molecular FormulaC8H10F6
Molecular Weight220.16 g/mol
Exact Mass220.07
IUPAC Name1,4,4-trifluorobut-1-ene;4,4,4-trifluorobut-1-ene
SMILESC=CCC(F)(F)F.FC=CCC(F)F
InChIInChI=1S/2C4H5F3/c1-2-3-4(5,6)7;5-3-1-2-4(6)7/h2H,1,3H2;1,3-4H,2H2
InChIKeyRQCNLICXYQQXMF-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

azane;4,4,4-trifluorobut-1-ene
CID 166791740
methane;4,4,4-trifluorobut-1-ene
CID 157244358
1,1,5,5-tetrafluoro-6-(2,2,6,6-tetrafluorohex-3-enoxy)hex-3-ene
CID 141435544
1,1,1,3,3-pentafluoropropane;(Z)-1,3,3,3-tetrafluoroprop-1-ene
CID 118107957
(1E)-1-fluoropenta-1,4-diene
CID 87196328
1-fluorohexa-1,5-diene
CID 154126554
3,3-difluorohexa-1,5-diene
CID 90930184
(2R)-2-fluoro-2-methylpent-4-en-1-ol
CID 57283986
1-(1,1,2,3,3-pentafluorohex-5-enyl)pyrrolidine
CID 162607539
1,1,1,5-tetrafluoropent-4-en-2-ylphosphonic acid
CID 154510630
4,5,5,5-tetrafluoro-4-methylpent-1-ene
CID 58901177
(4R)-5,5,5-trifluoro-4-methylpent-1-ene
CID 89023731

Frequently Asked Questions

What is the IUPAC name of 1,4,4-trifluorobut-1-ene;4,4,4-trifluorobut-1-ene?
The IUPAC name of 1,4,4-trifluorobut-1-ene;4,4,4-trifluorobut-1-ene (CID 160696871) is 1,4,4-trifluorobut-1-ene;4,4,4-trifluorobut-1-ene.
What is the SMILES notation for 1,4,4-trifluorobut-1-ene;4,4,4-trifluorobut-1-ene?
The canonical SMILES for 1,4,4-trifluorobut-1-ene;4,4,4-trifluorobut-1-ene is C=CCC(F)(F)F.FC=CCC(F)F.
What is the InChIKey of 1,4,4-trifluorobut-1-ene;4,4,4-trifluorobut-1-ene?
The InChIKey is RQCNLICXYQQXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H5F3/c1-2-3-4(5,6)7;5-3-1-2-4(6)7/h2H,1,3H2;1,3-4H,2H2.
What are the key properties of 1,4,4-trifluorobut-1-ene;4,4,4-trifluorobut-1-ene?
1,4,4-trifluorobut-1-ene;4,4,4-trifluorobut-1-ene has a molecular weight of 220.16 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-trifluorobut-1-ene;4,4,4-trifluorobut-1-ene is sourced from PubChem (CID 160696871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).