2-[(2,2,3,3-tetrafluoropropylamino)methyl]prop-2-enoic acid

C7H9F4NO2 — CID 106294370

IUPAC2-[(2,2,3,3-tetrafluoropropylamino)methyl]prop-2-enoic acid
SMILESC=C(CNCC(F)(F)C(F)F)C(=O)O
InChIInChI=1S/C7H9F4NO2/c1-4(5(13)14)2-12-3-7(10,11)6(8)9/h6,12H,1-3H2,(H,13,14)
InChIKeyUQJLNTDGESPGLT-UHFFFAOYSA-N
MW215.15 g/mol
LogP1.12
Rot. Bonds6

About 2-[(2,2,3,3-tetrafluoropropylamino)methyl]prop-2-enoic acid

2-[(2,2,3,3-tetrafluoropropylamino)methyl]prop-2-enoic acid (PubChem CID 106294370) has the molecular formula C7H9F4NO2 and a molecular weight of 215.15 g/mol. Its IUPAC name is 2-[(2,2,3,3-tetrafluoropropylamino)methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[(2,2,3,3-tetrafluoropropylamino)methyl]prop-2-enoic acid
PubChem CID106294370
Molecular FormulaC7H9F4NO2
Molecular Weight215.15 g/mol
Exact Mass215.06
IUPAC Name2-[(2,2,3,3-tetrafluoropropylamino)methyl]prop-2-enoic acid
SMILESC=C(CNCC(F)(F)C(F)F)C(=O)O
InChIInChI=1S/C7H9F4NO2/c1-4(5(13)14)2-12-3-7(10,11)6(8)9/h6,12H,1-3H2,(H,13,14)
InChIKeyUQJLNTDGESPGLT-UHFFFAOYSA-N
XLogP1.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.15
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2,3,3-tetrafluoropropylamino)methyl]prop-2-enoic acid?
The IUPAC name of 2-[(2,2,3,3-tetrafluoropropylamino)methyl]prop-2-enoic acid (CID 106294370) is 2-[(2,2,3,3-tetrafluoropropylamino)methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[(2,2,3,3-tetrafluoropropylamino)methyl]prop-2-enoic acid?
The canonical SMILES for 2-[(2,2,3,3-tetrafluoropropylamino)methyl]prop-2-enoic acid is C=C(CNCC(F)(F)C(F)F)C(=O)O.
What is the InChIKey of 2-[(2,2,3,3-tetrafluoropropylamino)methyl]prop-2-enoic acid?
The InChIKey is UQJLNTDGESPGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F4NO2/c1-4(5(13)14)2-12-3-7(10,11)6(8)9/h6,12H,1-3H2,(H,13,14).
What are the key properties of 2-[(2,2,3,3-tetrafluoropropylamino)methyl]prop-2-enoic acid?
2-[(2,2,3,3-tetrafluoropropylamino)methyl]prop-2-enoic acid has a molecular weight of 215.15 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,3,3-tetrafluoropropylamino)methyl]prop-2-enoic acid is sourced from PubChem (CID 106294370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).