1,1,3-trifluorobut-1-ene

C4H5F3 — CID 21096862

IUPAC1,1,3-trifluorobut-1-ene
SMILESCC(F)C=C(F)F
InChIInChI=1S/C4H5F3/c1-3(5)2-4(6)7/h2-3H,1H3
InChIKeyKIHPFEOVCJRTBP-UHFFFAOYSA-N
MW110.08 g/mol
LogP2.12
Rot. Bonds1

About 1,1,3-trifluorobut-1-ene

1,1,3-trifluorobut-1-ene (PubChem CID 21096862) has the molecular formula C4H5F3 and a molecular weight of 110.08 g/mol. Its IUPAC name is 1,1,3-trifluorobut-1-ene.

Molecular Properties

Compound Name1,1,3-trifluorobut-1-ene
PubChem CID21096862
Molecular FormulaC4H5F3
Molecular Weight110.08 g/mol
Exact Mass110.03
IUPAC Name1,1,3-trifluorobut-1-ene
SMILESCC(F)C=C(F)F
InChIInChI=1S/C4H5F3/c1-3(5)2-4(6)7/h2-3H,1H3
InChIKeyKIHPFEOVCJRTBP-UHFFFAOYSA-N
XLogP2.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.08
LogP ≤ 52.12
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
1,1,2-Trifluoropenta-1,4-diene
CID 272689
3,3,4,4-Tetrafluoro-1-butene
CID 555149
3,3-Difluoro-1-butene
CID 14123435
1,1,2-Trifluorobut-1-ene
CID 2777074
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
1,1,1-Trifluoropenta-2,3-diene
CID 56991262
1,1-Difluoro-3-ethylallene
CID 57662812
5,5,6,6,7,7,7-Heptafluorohepta-2,3-diene
CID 139264104

Frequently Asked Questions

What is the IUPAC name of 1,1,3-trifluorobut-1-ene?
The IUPAC name of 1,1,3-trifluorobut-1-ene (CID 21096862) is 1,1,3-trifluorobut-1-ene.
What is the SMILES notation for 1,1,3-trifluorobut-1-ene?
The canonical SMILES for 1,1,3-trifluorobut-1-ene is CC(F)C=C(F)F.
What is the InChIKey of 1,1,3-trifluorobut-1-ene?
The InChIKey is KIHPFEOVCJRTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3/c1-3(5)2-4(6)7/h2-3H,1H3.
What are the key properties of 1,1,3-trifluorobut-1-ene?
1,1,3-trifluorobut-1-ene has a molecular weight of 110.08 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trifluorobut-1-ene is sourced from PubChem (CID 21096862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).