1,1,2-trifluorobut-1-ene

C4H5F3 — CID 2777074

IUPAC1,1,2-trifluorobut-1-ene
SMILESCCC(F)=C(F)F
InChIInChI=1S/C4H5F3/c1-2-3(5)4(6)7/h2H2,1H3
InChIKeyDZWYKNVXBDJJHP-UHFFFAOYSA-N
MW110.08 g/mol
LogP2.47
Rot. Bonds1

About 1,1,2-trifluorobut-1-ene

1,1,2-trifluorobut-1-ene (PubChem CID 2777074) has the molecular formula C4H5F3 and a molecular weight of 110.08 g/mol. Its IUPAC name is 1,1,2-trifluorobut-1-ene.

Molecular Properties

Compound Name1,1,2-trifluorobut-1-ene
PubChem CID2777074
Molecular FormulaC4H5F3
Molecular Weight110.08 g/mol
Exact Mass110.03
IUPAC Name1,1,2-trifluorobut-1-ene
SMILESCCC(F)=C(F)F
InChIInChI=1S/C4H5F3/c1-2-3(5)4(6)7/h2H2,1H3
InChIKeyDZWYKNVXBDJJHP-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-Difluorobut-1-ene
CID 2782310
1,1-Difluoro-3-ethylallene
CID 57662812
1,1,2-Trifluoropent-1-ene
CID 2782638
1,1,2,3-Tetrafluorobut-1-ene
CID 18369764
1,1,2-Trifluoro-3-methylbut-1-ene
CID 20234585
1,1,2,3,4,4-Hexafluoro-3-methylbut-1-ene
CID 20448601
2,3,3-Trifluoropent-1-ene
CID 20793143
1,1,2,4-Tetrafluorobut-1-ene
CID 21096856
1,1,3-Trifluorobut-1-ene
CID 21096862
(Z)-1,2,3,3-tetrafluorobut-1-ene
CID 21096867
2,3,3-Trifluorobut-1-ene
CID 21096882
1,1,2,3,3,4-Hexafluoropent-1-ene
CID 53654778

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluorobut-1-ene?
The IUPAC name of 1,1,2-trifluorobut-1-ene (CID 2777074) is 1,1,2-trifluorobut-1-ene.
What is the SMILES notation for 1,1,2-trifluorobut-1-ene?
The canonical SMILES for 1,1,2-trifluorobut-1-ene is CCC(F)=C(F)F.
What is the InChIKey of 1,1,2-trifluorobut-1-ene?
The InChIKey is DZWYKNVXBDJJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3/c1-2-3(5)4(6)7/h2H2,1H3.
What are the key properties of 1,1,2-trifluorobut-1-ene?
1,1,2-trifluorobut-1-ene has a molecular weight of 110.08 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluorobut-1-ene is sourced from PubChem (CID 2777074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).