2-(difluorophosphanylmethylamino)acetic acid

C3H6F2NO2P — CID 57303689

IUPAC2-(difluorophosphanylmethylamino)acetic acid
SMILESO=C(O)CNCP(F)F
InChIInChI=1S/C3H6F2NO2P/c4-9(5)2-6-1-3(7)8/h6H,1-2H2,(H,7,8)
InChIKeyZHTMICTWOGKALY-UHFFFAOYSA-N
MW157.06 g/mol
LogP0.87
Rot. Bonds4

About 2-(difluorophosphanylmethylamino)acetic acid

2-(difluorophosphanylmethylamino)acetic acid (PubChem CID 57303689) has the molecular formula C3H6F2NO2P and a molecular weight of 157.06 g/mol. Its IUPAC name is 2-(difluorophosphanylmethylamino)acetic acid.

Molecular Properties

Compound Name2-(difluorophosphanylmethylamino)acetic acid
PubChem CID57303689
Molecular FormulaC3H6F2NO2P
Molecular Weight157.06 g/mol
Exact Mass157.01
IUPAC Name2-(difluorophosphanylmethylamino)acetic acid
SMILESO=C(O)CNCP(F)F
InChIInChI=1S/C3H6F2NO2P/c4-9(5)2-6-1-3(7)8/h6H,1-2H2,(H,7,8)
InChIKeyZHTMICTWOGKALY-UHFFFAOYSA-N
XLogP0.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.06
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Trifluoromethylglycine
CID 89301426
N-(phosphoryl-methyl)glycine
CID 129747846
2-(Fluoromethylamino)acetic acid
CID 87713709
2-Fluoro-2-(fluoromethylamino)acetic acid
CID 145809642
2-(Thiophosphorosomethylamino)acetic acid
CID 20211508
2-(Phosphanylmethylamino)acetic acid
CID 20246459
2-(Phosphorosomethylamino)acetic acid
CID 20561473
2-(Dichlorophosphanylmethylamino)acetic acid
CID 57018340
2-(Chlorophosphanylmethylamino)acetic acid
CID 57090340
2-(Diiodophosphanylmethylamino)acetic acid
CID 57157585
2-(Dibromophosphanylmethylamino)acetic acid
CID 57216861
Carboxymethyl(methanidyl)azanium
CID 123768190

Frequently Asked Questions

What is the IUPAC name of 2-(difluorophosphanylmethylamino)acetic acid?
The IUPAC name of 2-(difluorophosphanylmethylamino)acetic acid (CID 57303689) is 2-(difluorophosphanylmethylamino)acetic acid.
What is the SMILES notation for 2-(difluorophosphanylmethylamino)acetic acid?
The canonical SMILES for 2-(difluorophosphanylmethylamino)acetic acid is O=C(O)CNCP(F)F.
What is the InChIKey of 2-(difluorophosphanylmethylamino)acetic acid?
The InChIKey is ZHTMICTWOGKALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F2NO2P/c4-9(5)2-6-1-3(7)8/h6H,1-2H2,(H,7,8).
What are the key properties of 2-(difluorophosphanylmethylamino)acetic acid?
2-(difluorophosphanylmethylamino)acetic acid has a molecular weight of 157.06 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluorophosphanylmethylamino)acetic acid is sourced from PubChem (CID 57303689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).