2-(3,3-difluoroprop-2-enylamino)acetic acid

C5H7F2NO2 — CID 175555565

IUPAC2-(3,3-difluoroprop-2-enylamino)acetic acid
SMILESO=C(O)CNCC=C(F)F
InChIInChI=1S/C5H7F2NO2/c6-4(7)1-2-8-3-5(9)10/h1,8H,2-3H2,(H,9,10)
InChIKeyYEZVHPJFWODDKC-UHFFFAOYSA-N
MW151.11 g/mol
LogP0.44
Rot. Bonds4

About 2-(3,3-difluoroprop-2-enylamino)acetic acid

2-(3,3-difluoroprop-2-enylamino)acetic acid (PubChem CID 175555565) has the molecular formula C5H7F2NO2 and a molecular weight of 151.11 g/mol. Its IUPAC name is 2-(3,3-difluoroprop-2-enylamino)acetic acid.

Molecular Properties

Compound Name2-(3,3-difluoroprop-2-enylamino)acetic acid
PubChem CID175555565
Molecular FormulaC5H7F2NO2
Molecular Weight151.11 g/mol
Exact Mass151.04
IUPAC Name2-(3,3-difluoroprop-2-enylamino)acetic acid
SMILESO=C(O)CNCC=C(F)F
InChIInChI=1S/C5H7F2NO2/c6-4(7)1-2-8-3-5(9)10/h1,8H,2-3H2,(H,9,10)
InChIKeyYEZVHPJFWODDKC-UHFFFAOYSA-N
XLogP0.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.11
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoroprop-2-enylamino)acetic acid?
The IUPAC name of 2-(3,3-difluoroprop-2-enylamino)acetic acid (CID 175555565) is 2-(3,3-difluoroprop-2-enylamino)acetic acid.
What is the SMILES notation for 2-(3,3-difluoroprop-2-enylamino)acetic acid?
The canonical SMILES for 2-(3,3-difluoroprop-2-enylamino)acetic acid is O=C(O)CNCC=C(F)F.
What is the InChIKey of 2-(3,3-difluoroprop-2-enylamino)acetic acid?
The InChIKey is YEZVHPJFWODDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO2/c6-4(7)1-2-8-3-5(9)10/h1,8H,2-3H2,(H,9,10).
What are the key properties of 2-(3,3-difluoroprop-2-enylamino)acetic acid?
2-(3,3-difluoroprop-2-enylamino)acetic acid has a molecular weight of 151.11 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoroprop-2-enylamino)acetic acid is sourced from PubChem (CID 175555565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).