4-amino-5,5,5-trifluoropent-3-enoic acid

C5H6F3NO2 — CID 151824390

IUPAC4-amino-5,5,5-trifluoropent-3-enoic acid
SMILESNC(=CCC(=O)O)C(F)(F)F
InChIInChI=1S/C5H6F3NO2/c6-5(7,8)3(9)1-2-4(10)11/h1H,2,9H2,(H,10,11)
InChIKeySDHIHJXLRUAEPK-UHFFFAOYSA-N
MW169.10 g/mol
LogP0.87
Rot. Bonds2

About 4-amino-5,5,5-trifluoropent-3-enoic acid

4-amino-5,5,5-trifluoropent-3-enoic acid (PubChem CID 151824390) has the molecular formula C5H6F3NO2 and a molecular weight of 169.10 g/mol. Its IUPAC name is 4-amino-5,5,5-trifluoropent-3-enoic acid.

Molecular Properties

Compound Name4-amino-5,5,5-trifluoropent-3-enoic acid
PubChem CID151824390
Molecular FormulaC5H6F3NO2
Molecular Weight169.10 g/mol
Exact Mass169.04
IUPAC Name4-amino-5,5,5-trifluoropent-3-enoic acid
SMILESNC(=CCC(=O)O)C(F)(F)F
InChIInChI=1S/C5H6F3NO2/c6-5(7,8)3(9)1-2-4(10)11/h1H,2,9H2,(H,10,11)
InChIKeySDHIHJXLRUAEPK-UHFFFAOYSA-N
XLogP0.87
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.10
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 175843961
2-fluoropent-2-enedioic acid
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CID 18698242
4,5-dimethylocta-3,5-dienedioic acid
CID 57299437
5,5,5-trifluoro-4-oxopentanoic acid
CID 20543330
2-aminoacetaldehyde;2,2,2-trifluoroacetic acid
CID 171923069
ethane-1,2-diamine;2,2,2-trifluoroacetic acid
CID 87485820
acetic acid;2,2,2-trifluoroacetamide
CID 172805732
diaminomethylideneazanium;2,2,2-trifluoroacetic acid
CID 159933368
2,2,3-trimethylhex-3-enedioic acid
CID 173447761
(Z)-4-methylhex-3-enoic acid
CID 14197236
(Z)-1,1,1-trifluoro-5-sulfanylpent-4-en-2-one
CID 155400858

Frequently Asked Questions

What is the IUPAC name of 4-amino-5,5,5-trifluoropent-3-enoic acid?
The IUPAC name of 4-amino-5,5,5-trifluoropent-3-enoic acid (CID 151824390) is 4-amino-5,5,5-trifluoropent-3-enoic acid.
What is the SMILES notation for 4-amino-5,5,5-trifluoropent-3-enoic acid?
The canonical SMILES for 4-amino-5,5,5-trifluoropent-3-enoic acid is NC(=CCC(=O)O)C(F)(F)F.
What is the InChIKey of 4-amino-5,5,5-trifluoropent-3-enoic acid?
The InChIKey is SDHIHJXLRUAEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO2/c6-5(7,8)3(9)1-2-4(10)11/h1H,2,9H2,(H,10,11).
What are the key properties of 4-amino-5,5,5-trifluoropent-3-enoic acid?
4-amino-5,5,5-trifluoropent-3-enoic acid has a molecular weight of 169.10 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5,5,5-trifluoropent-3-enoic acid is sourced from PubChem (CID 151824390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).