(Z)-1,1,3-trifluorobut-2-ene

C4H5F3 — CID 21096863

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

About (Z)-1,1,3-trifluorobut-2-ene

(Z)-1,1,3-trifluorobut-2-ene (PubChem CID 21096863) has the molecular formula C4H5F3 and a molecular weight of 110.08 g/mol. Its IUPAC name is (Z)-1,1,3-trifluorobut-2-ene.

Molecular Properties

Compound Name(Z)-1,1,3-trifluorobut-2-ene
PubChem CID21096863
Molecular FormulaC4H5F3
Molecular Weight110.08 g/mol
Exact Mass110.03
IUPAC Name(Z)-1,1,3-trifluorobut-2-ene
SMILESC/C(F)=C/C(F)F
InChIInChI=1S/C4H5F3/c1-3(5)2-4(6)7/h2,4H,1H3/b3-2-
InChIKeyLBXIVYAXNJZIAE-IHWYPQMZSA-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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Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,3-trifluorobut-2-ene?
The IUPAC name of (Z)-1,1,3-trifluorobut-2-ene (CID 21096863) is (Z)-1,1,3-trifluorobut-2-ene.
What is the SMILES notation for (Z)-1,1,3-trifluorobut-2-ene?
The canonical SMILES for (Z)-1,1,3-trifluorobut-2-ene is C/C(F)=C/C(F)F.
What is the InChIKey of (Z)-1,1,3-trifluorobut-2-ene?
The InChIKey is LBXIVYAXNJZIAE-IHWYPQMZSA-N. The full InChI is InChI=1S/C4H5F3/c1-3(5)2-4(6)7/h2,4H,1H3/b3-2-.
What are the key properties of (Z)-1,1,3-trifluorobut-2-ene?
(Z)-1,1,3-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 (Z)-1,1,3-trifluorobut-2-ene is sourced from PubChem (CID 21096863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).