(E)-1,1,2-trifluorobut-2-ene

C4H5F3 — CID 21096858

IUPAC(E)-1,1,2-trifluorobut-2-ene
SMILESC/C=C(/F)C(F)F
InChIInChI=1S/C4H5F3/c1-2-3(5)4(6)7/h2,4H,1H3/b3-2+
InChIKeyAGMISSLLZYLWFJ-NSCUHMNNSA-N
MW110.08 g/mol
LogP2.12
Rot. Bonds1

About (E)-1,1,2-trifluorobut-2-ene

(E)-1,1,2-trifluorobut-2-ene (PubChem CID 21096858) has the molecular formula C4H5F3 and a molecular weight of 110.08 g/mol. Its IUPAC name is (E)-1,1,2-trifluorobut-2-ene.

Molecular Properties

Compound Name(E)-1,1,2-trifluorobut-2-ene
PubChem CID21096858
Molecular FormulaC4H5F3
Molecular Weight110.08 g/mol
Exact Mass110.03
IUPAC Name(E)-1,1,2-trifluorobut-2-ene
SMILESC/C=C(/F)C(F)F
InChIInChI=1S/C4H5F3/c1-2-3(5)4(6)7/h2,4H,1H3/b3-2+
InChIKeyAGMISSLLZYLWFJ-NSCUHMNNSA-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

(Z)-2-Fluoro-2-butene
CID 12756876
(E)-2-Fluoro-2-butene
CID 12756877
1,1,1-Trifluoro-2-butene
CID 5708977
(E)-1,1-difluorobut-2-ene
CID 10374416
Prop-1-ene;1,1,2,2-tetrafluoroethene
CID 19795055
(2Z)-1,1,1,3-Tetrafluoro-2-butene
CID 20632078
2-Fluorobut-2-ene
CID 20806750
E-2,4,4,4-Tetrafluoro-2-butene
CID 44717370
3,4,4,4-Tetrafluoro-2-butene
CID 54079952
1,1,1-Trifluoropenta-2,3-diene
CID 56991262
1,1,1-Trifluorohexa-2,4-diene
CID 71376692
1,1,2-Trifluoro-1,3-pentadiene
CID 5868326

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,2-trifluorobut-2-ene?
The IUPAC name of (E)-1,1,2-trifluorobut-2-ene (CID 21096858) is (E)-1,1,2-trifluorobut-2-ene.
What is the SMILES notation for (E)-1,1,2-trifluorobut-2-ene?
The canonical SMILES for (E)-1,1,2-trifluorobut-2-ene is C/C=C(/F)C(F)F.
What is the InChIKey of (E)-1,1,2-trifluorobut-2-ene?
The InChIKey is AGMISSLLZYLWFJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H5F3/c1-2-3(5)4(6)7/h2,4H,1H3/b3-2+.
What are the key properties of (E)-1,1,2-trifluorobut-2-ene?
(E)-1,1,2-trifluorobut-2-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 (E)-1,1,2-trifluorobut-2-ene is sourced from PubChem (CID 21096858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).