(Z)-3-amino-4,4,4-trifluoro-2-(trifluoromethyl)but-2-enoic acid

C5H3F6NO2 — CID 134410433

IUPAC(Z)-3-amino-4,4,4-trifluoro-2-(trifluoromethyl)but-2-enoic acid
SMILESN/C(=C(/C(=O)O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F6NO2/c6-4(7,8)1(3(13)14)2(12)5(9,10)11/h12H2,(H,13,14)/b2-1-
InChIKeyMTECSDOBDCGSGP-UPHRSURJSA-N
MW223.07 g/mol
LogP1.41
Rot. Bonds1

About (Z)-3-amino-4,4,4-trifluoro-2-(trifluoromethyl)but-2-enoic acid

(Z)-3-amino-4,4,4-trifluoro-2-(trifluoromethyl)but-2-enoic acid (PubChem CID 134410433) has the molecular formula C5H3F6NO2 and a molecular weight of 223.07 g/mol. Its IUPAC name is (Z)-3-amino-4,4,4-trifluoro-2-(trifluoromethyl)but-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-amino-4,4,4-trifluoro-2-(trifluoromethyl)but-2-enoic acid
PubChem CID134410433
Molecular FormulaC5H3F6NO2
Molecular Weight223.07 g/mol
Exact Mass223.01
IUPAC Name(Z)-3-amino-4,4,4-trifluoro-2-(trifluoromethyl)but-2-enoic acid
SMILESN/C(=C(/C(=O)O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F6NO2/c6-4(7,8)1(3(13)14)2(12)5(9,10)11/h12H2,(H,13,14)/b2-1-
InChIKeyMTECSDOBDCGSGP-UPHRSURJSA-N
XLogP1.41
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-amino-2,4,4,4-tetrafluorobut-2-enoic acid
CID 17802159
(Z)-3-amino-4,4,4-trifluoro-2-methylbut-2-enoic acid
CID 88162470
iodo (Z)-3-amino-4,4,4-trifluoro-2-(trifluoromethyl)but-2-enoate
CID 134410512
3-Amino-4,4,4-trifluoro-2-methylbut-2-enoic acid
CID 173259330
(E)-3-amino-2-(trifluoromethyl)but-2-enoic acid
CID 157656436

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-4,4,4-trifluoro-2-(trifluoromethyl)but-2-enoic acid?
The IUPAC name of (Z)-3-amino-4,4,4-trifluoro-2-(trifluoromethyl)but-2-enoic acid (CID 134410433) is (Z)-3-amino-4,4,4-trifluoro-2-(trifluoromethyl)but-2-enoic acid.
What is the SMILES notation for (Z)-3-amino-4,4,4-trifluoro-2-(trifluoromethyl)but-2-enoic acid?
The canonical SMILES for (Z)-3-amino-4,4,4-trifluoro-2-(trifluoromethyl)but-2-enoic acid is N/C(=C(/C(=O)O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (Z)-3-amino-4,4,4-trifluoro-2-(trifluoromethyl)but-2-enoic acid?
The InChIKey is MTECSDOBDCGSGP-UPHRSURJSA-N. The full InChI is InChI=1S/C5H3F6NO2/c6-4(7,8)1(3(13)14)2(12)5(9,10)11/h12H2,(H,13,14)/b2-1-.
What are the key properties of (Z)-3-amino-4,4,4-trifluoro-2-(trifluoromethyl)but-2-enoic acid?
(Z)-3-amino-4,4,4-trifluoro-2-(trifluoromethyl)but-2-enoic acid has a molecular weight of 223.07 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-4,4,4-trifluoro-2-(trifluoromethyl)but-2-enoic acid is sourced from PubChem (CID 134410433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).