2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]prop-2-enoic acid

C8H10F3NO2 — CID 106215303

IUPAC2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]prop-2-enoic acid
SMILESC=C(CNC1(C(F)(F)F)CC1)C(=O)O
InChIInChI=1S/C8H10F3NO2/c1-5(6(13)14)4-12-7(2-3-7)8(9,10)11/h12H,1-4H2,(H,13,14)
InChIKeyXINQCNJOZVWOLI-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.31
Rot. Bonds4

About 2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]prop-2-enoic acid

2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]prop-2-enoic acid (PubChem CID 106215303) has the molecular formula C8H10F3NO2 and a molecular weight of 209.17 g/mol. Its IUPAC name is 2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]prop-2-enoic acid
PubChem CID106215303
Molecular FormulaC8H10F3NO2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC Name2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]prop-2-enoic acid
SMILESC=C(CNC1(C(F)(F)F)CC1)C(=O)O
InChIInChI=1S/C8H10F3NO2/c1-5(6(13)14)4-12-7(2-3-7)8(9,10)11/h12H,1-4H2,(H,13,14)
InChIKeyXINQCNJOZVWOLI-UHFFFAOYSA-N
XLogP1.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.31
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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Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]prop-2-enoic acid?
The IUPAC name of 2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]prop-2-enoic acid (CID 106215303) is 2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]prop-2-enoic acid?
The canonical SMILES for 2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]prop-2-enoic acid is C=C(CNC1(C(F)(F)F)CC1)C(=O)O.
What is the InChIKey of 2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]prop-2-enoic acid?
The InChIKey is XINQCNJOZVWOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2/c1-5(6(13)14)4-12-7(2-3-7)8(9,10)11/h12H,1-4H2,(H,13,14).
What are the key properties of 2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]prop-2-enoic acid?
2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]prop-2-enoic acid has a molecular weight of 209.17 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]prop-2-enoic acid is sourced from PubChem (CID 106215303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).