3-amino-2,2-difluoropropanoic acid;3-amino-3,3-difluoropropanoic acid

C6H10F4N2O4 — CID 87333832

IUPAC3-amino-2,2-difluoropropanoic acid;3-amino-3,3-difluoropropanoic acid
SMILESNC(F)(F)CC(=O)O.NCC(F)(F)C(=O)O
InChIInChI=1S/2C3H5F2NO2/c4-3(5,1-6)2(7)8;4-3(5,6)1-2(7)8/h2*1,6H2,(H,7,8)
InChIKeyWZOWKUZIFQHBGB-UHFFFAOYSA-N
MW250.15 g/mol
LogP-0.32
Rot. Bonds4

About 3-amino-2,2-difluoropropanoic acid;3-amino-3,3-difluoropropanoic acid

3-amino-2,2-difluoropropanoic acid;3-amino-3,3-difluoropropanoic acid (PubChem CID 87333832) has the molecular formula C6H10F4N2O4 and a molecular weight of 250.15 g/mol. Its IUPAC name is 3-amino-2,2-difluoropropanoic acid;3-amino-3,3-difluoropropanoic acid.

Molecular Properties

Compound Name3-amino-2,2-difluoropropanoic acid;3-amino-3,3-difluoropropanoic acid
PubChem CID87333832
Molecular FormulaC6H10F4N2O4
Molecular Weight250.15 g/mol
Exact Mass250.06
IUPAC Name3-amino-2,2-difluoropropanoic acid;3-amino-3,3-difluoropropanoic acid
SMILESNC(F)(F)CC(=O)O.NCC(F)(F)C(=O)O
InChIInChI=1S/2C3H5F2NO2/c4-3(5,1-6)2(7)8;4-3(5,6)1-2(7)8/h2*1,6H2,(H,7,8)
InChIKeyWZOWKUZIFQHBGB-UHFFFAOYSA-N
XLogP-0.32
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.15
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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2-(Aminomethyl)-3,3-difluoropropanoic acid;hydrochloride
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2-(Aminomethyl)-2,3,3,3-tetrafluoropropanoic acid
CID 86635894
3-Aminopropanoic acid;2,2,2-trifluoroacetic acid
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(2S)-2,3-diaminopropanoic acid;2,2,2-trifluoroacetic acid
CID 88335355
3-Amino-2,2-dimethyl-propionic acid TFA salt
CID 131732215
Methyl 3-aminopropanoate;2,2,2-trifluoroacetic acid
CID 157987719
Ethane-1,2-diamine;bis(2,2,2-trifluoroacetic acid)
CID 160227818
2,2,3,3,3-Pentafluoropropan-1-amine;propanoic acid
CID 161596735
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CID 172699050

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-difluoropropanoic acid;3-amino-3,3-difluoropropanoic acid?
The IUPAC name of 3-amino-2,2-difluoropropanoic acid;3-amino-3,3-difluoropropanoic acid (CID 87333832) is 3-amino-2,2-difluoropropanoic acid;3-amino-3,3-difluoropropanoic acid.
What is the SMILES notation for 3-amino-2,2-difluoropropanoic acid;3-amino-3,3-difluoropropanoic acid?
The canonical SMILES for 3-amino-2,2-difluoropropanoic acid;3-amino-3,3-difluoropropanoic acid is NC(F)(F)CC(=O)O.NCC(F)(F)C(=O)O.
What is the InChIKey of 3-amino-2,2-difluoropropanoic acid;3-amino-3,3-difluoropropanoic acid?
The InChIKey is WZOWKUZIFQHBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H5F2NO2/c4-3(5,1-6)2(7)8;4-3(5,6)1-2(7)8/h2*1,6H2,(H,7,8).
What are the key properties of 3-amino-2,2-difluoropropanoic acid;3-amino-3,3-difluoropropanoic acid?
3-amino-2,2-difluoropropanoic acid;3-amino-3,3-difluoropropanoic acid has a molecular weight of 250.15 g/mol, XLogP of -0.32, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-difluoropropanoic acid;3-amino-3,3-difluoropropanoic acid is sourced from PubChem (CID 87333832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).