(3-amino-1,1,1-trifluoropropan-2-yl)phosphonic acid

C3H7F3NO3P — CID 154314425

IUPAC(3-amino-1,1,1-trifluoropropan-2-yl)phosphonic acid
SMILESNCC(C(F)(F)F)P(=O)(O)O
InChIInChI=1S/C3H7F3NO3P/c4-3(5,6)2(1-7)11(8,9)10/h2H,1,7H2,(H2,8,9,10)
InChIKeyKYLGGVRRHJOCIS-UHFFFAOYSA-N
MW193.06 g/mol
LogP0.05
Rot. Bonds2

About (3-amino-1,1,1-trifluoropropan-2-yl)phosphonic acid

(3-amino-1,1,1-trifluoropropan-2-yl)phosphonic acid (PubChem CID 154314425) has the molecular formula C3H7F3NO3P and a molecular weight of 193.06 g/mol. Its IUPAC name is (3-amino-1,1,1-trifluoropropan-2-yl)phosphonic acid.

Molecular Properties

Compound Name(3-amino-1,1,1-trifluoropropan-2-yl)phosphonic acid
PubChem CID154314425
Molecular FormulaC3H7F3NO3P
Molecular Weight193.06 g/mol
Exact Mass193.01
IUPAC Name(3-amino-1,1,1-trifluoropropan-2-yl)phosphonic acid
SMILESNCC(C(F)(F)F)P(=O)(O)O
InChIInChI=1S/C3H7F3NO3P/c4-3(5,6)2(1-7)11(8,9)10/h2H,1,7H2,(H2,8,9,10)
InChIKeyKYLGGVRRHJOCIS-UHFFFAOYSA-N
XLogP0.05
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.06
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,5-tetrafluoropent-4-en-2-ylphosphonic acid
CID 154510630
[(2R)-3-amino-2-fluoropropyl]phosphonic acid
CID 122184355
bromo(trifluoro)methane;phosphoric acid
CID 172736690
aminomethylphosphonic acid;azane
CID 173452353
aminomethylphosphonic acid;hydrate
CID 172785575
1,1,1,5,5,5-hexafluoropentan-3-ylphosphonic acid
CID 22270252
(2S)-3-amino-1,1,1-trifluoropropan-2-ol
CID 2779001
(2,3-diamino-1-phosphonopropyl)phosphonic acid;hydrate
CID 87392174
(3-amino-2-chloro-1-phosphonopropyl)phosphonic acid
CID 57057992
ethane-1,2-diamine;4-phosphonobutylphosphonic acid
CID 18320900
[azanyl(dideuterio)(113C)methyl]phosphonic acid
CID 172990165
2-(aminomethyl)-3,3,3-trifluoropropanoic acid;hydrochloride
CID 154825637

Frequently Asked Questions

What is the IUPAC name of (3-amino-1,1,1-trifluoropropan-2-yl)phosphonic acid?
The IUPAC name of (3-amino-1,1,1-trifluoropropan-2-yl)phosphonic acid (CID 154314425) is (3-amino-1,1,1-trifluoropropan-2-yl)phosphonic acid.
What is the SMILES notation for (3-amino-1,1,1-trifluoropropan-2-yl)phosphonic acid?
The canonical SMILES for (3-amino-1,1,1-trifluoropropan-2-yl)phosphonic acid is NCC(C(F)(F)F)P(=O)(O)O.
What is the InChIKey of (3-amino-1,1,1-trifluoropropan-2-yl)phosphonic acid?
The InChIKey is KYLGGVRRHJOCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F3NO3P/c4-3(5,6)2(1-7)11(8,9)10/h2H,1,7H2,(H2,8,9,10).
What are the key properties of (3-amino-1,1,1-trifluoropropan-2-yl)phosphonic acid?
(3-amino-1,1,1-trifluoropropan-2-yl)phosphonic acid has a molecular weight of 193.06 g/mol, XLogP of 0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1,1,1-trifluoropropan-2-yl)phosphonic acid is sourced from PubChem (CID 154314425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).