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

C4H5F3 — CID 13620735

IUPAC(Z)-1,1,1-trifluorobut-2-ene
SMILESC/C=C\C(F)(F)F
InChIInChI=1S/C4H5F3/c1-2-3-4(5,6)7/h2-3H,1H3/b3-2-
InChIKeyICTYZHTZZOUENE-IHWYPQMZSA-N
MW110.08 g/mol
LogP2.20
Rot. Bonds

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

(Z)-1,1,1-trifluorobut-2-ene (PubChem CID 13620735) has the molecular formula C4H5F3 and a molecular weight of 110.08 g/mol. Its IUPAC name is (Z)-1,1,1-trifluorobut-2-ene.

Molecular Properties

Compound Name(Z)-1,1,1-trifluorobut-2-ene
PubChem CID13620735
Molecular FormulaC4H5F3
Molecular Weight110.08 g/mol
Exact Mass110.03
IUPAC Name(Z)-1,1,1-trifluorobut-2-ene
SMILESC/C=C\C(F)(F)F
InChIInChI=1S/C4H5F3/c1-2-3-4(5,6)7/h2-3H,1H3/b3-2-
InChIKeyICTYZHTZZOUENE-IHWYPQMZSA-N
XLogP2.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity69

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.08
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Fluoro-2-butene
CID 10931363
2-Butene, 1,4-difluoro-
CID 6433179
1,1-Difluoro-1,3-butadiene
CID 11506444
Pubchem_71310058
CID 71310058
(E)-1,1-difluorobut-2-ene
CID 10374416
1,1,1-Trifluoro-2-butene
CID 5708977
5,5,5-Trifluoro-1,3-pentadiene
CID 11629600
Prop-1-ene;1,1,2,2-tetrafluoroethene
CID 19795055
(2Z)-1,1,1,3-Tetrafluoro-2-butene
CID 20632078
E-2,4,4,4-Tetrafluoro-2-butene
CID 44717370
3,4,4,4-Tetrafluoro-2-butene
CID 54079952
1,1,1-Trifluorohexa-2,4-diene
CID 71376692

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluorobut-2-ene?
The IUPAC name of (Z)-1,1,1-trifluorobut-2-ene (CID 13620735) is (Z)-1,1,1-trifluorobut-2-ene.
What is the SMILES notation for (Z)-1,1,1-trifluorobut-2-ene?
The canonical SMILES for (Z)-1,1,1-trifluorobut-2-ene is C/C=C\C(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluorobut-2-ene?
The InChIKey is ICTYZHTZZOUENE-IHWYPQMZSA-N. The full InChI is InChI=1S/C4H5F3/c1-2-3-4(5,6)7/h2-3H,1H3/b3-2-.
What are the key properties of (Z)-1,1,1-trifluorobut-2-ene?
(Z)-1,1,1-trifluorobut-2-ene has a molecular weight of 110.08 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluorobut-2-ene is sourced from PubChem (CID 13620735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).