(Z)-2,4,4-trifluorobut-2-enoic acid

C4H3F3O2 — CID 22743915

IUPAC(Z)-2,4,4-trifluorobut-2-enoic acid
SMILESO=C(O)/C(F)=C/C(F)F
InChIInChI=1S/C4H3F3O2/c5-2(4(8)9)1-3(6)7/h1,3H,(H,8,9)/b2-1-
InChIKeyWXPSKGKKEVVVNN-UPHRSURJSA-N
MW140.06 g/mol
LogP1.19
Rot. Bonds2

About (Z)-2,4,4-trifluorobut-2-enoic acid

(Z)-2,4,4-trifluorobut-2-enoic acid (PubChem CID 22743915) has the molecular formula C4H3F3O2 and a molecular weight of 140.06 g/mol. Its IUPAC name is (Z)-2,4,4-trifluorobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-2,4,4-trifluorobut-2-enoic acid
PubChem CID22743915
Molecular FormulaC4H3F3O2
Molecular Weight140.06 g/mol
Exact Mass140.01
IUPAC Name(Z)-2,4,4-trifluorobut-2-enoic acid
SMILESO=C(O)/C(F)=C/C(F)F
InChIInChI=1S/C4H3F3O2/c5-2(4(8)9)1-3(6)7/h1,3H,(H,8,9)/b2-1-
InChIKeyWXPSKGKKEVVVNN-UPHRSURJSA-N
XLogP1.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.06
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4,4,4-Trifluoro-3-(trifluoromethyl)crotonic acid
CID 15669
2-Fluorofumarate
CID 5385354
(Z)-3,4,4,4-Tetrafluoro-2-butenoic acid
CID 23116759
(2E)-4-fluorobut-2-enoic acid
CID 6434807
4,4,4-Trifluorocrotonic acid
CID 5709614
2-Fluorobut-2-enoic acid
CID 15594782
(2E)-4,4-difluorobut-2-enoic acid
CID 46941888
(E)-2:2 Fluorotelomer unsaturated carboxylic acid
CID 162396678
3,4,4,4aTetrafluorobuta2aenoic acid
CID 74018065
Fluoro-maleic acid
CID 13966914
2-Fluoro-2-butenedioic acid
CID 101260
4,4,4-Trifluoro-but-2-enoic acid
CID 2782431

Frequently Asked Questions

What is the IUPAC name of (Z)-2,4,4-trifluorobut-2-enoic acid?
The IUPAC name of (Z)-2,4,4-trifluorobut-2-enoic acid (CID 22743915) is (Z)-2,4,4-trifluorobut-2-enoic acid.
What is the SMILES notation for (Z)-2,4,4-trifluorobut-2-enoic acid?
The canonical SMILES for (Z)-2,4,4-trifluorobut-2-enoic acid is O=C(O)/C(F)=C/C(F)F.
What is the InChIKey of (Z)-2,4,4-trifluorobut-2-enoic acid?
The InChIKey is WXPSKGKKEVVVNN-UPHRSURJSA-N. The full InChI is InChI=1S/C4H3F3O2/c5-2(4(8)9)1-3(6)7/h1,3H,(H,8,9)/b2-1-.
What are the key properties of (Z)-2,4,4-trifluorobut-2-enoic acid?
(Z)-2,4,4-trifluorobut-2-enoic acid has a molecular weight of 140.06 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,4,4-trifluorobut-2-enoic acid is sourced from PubChem (CID 22743915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).