1,1,4-trifluorobut-1-ene

C4H5F3 — CID 21096865

IUPAC1,1,4-trifluorobut-1-ene
SMILESFCCC=C(F)F
InChIInChI=1S/C4H5F3/c5-3-1-2-4(6)7/h2H,1,3H2
InChIKeyAGSFCDUQOHXHSJ-UHFFFAOYSA-N
MW110.08 g/mol
LogP2.13
Rot. Bonds2

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

1,1,4-trifluorobut-1-ene (PubChem CID 21096865) has the molecular formula C4H5F3 and a molecular weight of 110.08 g/mol. Its IUPAC name is 1,1,4-trifluorobut-1-ene.

Molecular Properties

Compound Name1,1,4-trifluorobut-1-ene
PubChem CID21096865
Molecular FormulaC4H5F3
Molecular Weight110.08 g/mol
Exact Mass110.03
IUPAC Name1,1,4-trifluorobut-1-ene
SMILESFCCC=C(F)F
InChIInChI=1S/C4H5F3/c5-3-1-2-4(6)7/h2H,1,3H2
InChIKeyAGSFCDUQOHXHSJ-UHFFFAOYSA-N
XLogP2.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.08
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4,4,4-Trifluoro-1-butene
CID 10887850
1,1-Difluorobut-1-ene
CID 2782310
1,1,3,3,4,4,4-Heptafluoro-1-butene
CID 21096859
1,1-Difluoro-4-iodo-but-1-ene
CID 21850593
3,3,4,4-Tetrafluorohexa-1,5-diene
CID 74482
1,1,2-Trifluoropenta-1,4-diene
CID 272689
3,3,4,4-Tetrafluoro-1-butene
CID 555149
3,3-Difluorobut-1-ene
CID 14123435
1,1,6,6-Tetrafluoro-1,5-hexadiene
CID 12965533
1,1-Difluoropent-1-ene
CID 13087753
3,3-Difluoro-1,4-pentadiene
CID 13759164
Vinylidene 1,1-difluoroethane
CID 15710920

Frequently Asked Questions

What is the IUPAC name of 1,1,4-trifluorobut-1-ene?
The IUPAC name of 1,1,4-trifluorobut-1-ene (CID 21096865) is 1,1,4-trifluorobut-1-ene.
What is the SMILES notation for 1,1,4-trifluorobut-1-ene?
The canonical SMILES for 1,1,4-trifluorobut-1-ene is FCCC=C(F)F.
What is the InChIKey of 1,1,4-trifluorobut-1-ene?
The InChIKey is AGSFCDUQOHXHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3/c5-3-1-2-4(6)7/h2H,1,3H2.
What are the key properties of 1,1,4-trifluorobut-1-ene?
1,1,4-trifluorobut-1-ene has a molecular weight of 110.08 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4-trifluorobut-1-ene is sourced from PubChem (CID 21096865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).