(2,2,2-trifluoroethylamino) dihydrogen phosphate

C2H5F3NO4P — CID 175361747

IUPAC(2,2,2-trifluoroethylamino) dihydrogen phosphate
SMILESO=P(O)(O)ONCC(F)(F)F
InChIInChI=1S/C2H5F3NO4P/c3-2(4,5)1-6-10-11(7,8)9/h6H,1H2,(H2,7,8,9)
InChIKeyIPABUHQYSJFPLB-UHFFFAOYSA-N
MW195.03 g/mol
LogP0.16
Rot. Bonds3

About (2,2,2-trifluoroethylamino) dihydrogen phosphate

(2,2,2-trifluoroethylamino) dihydrogen phosphate (PubChem CID 175361747) has the molecular formula C2H5F3NO4P and a molecular weight of 195.03 g/mol. Its IUPAC name is (2,2,2-trifluoroethylamino) dihydrogen phosphate.

Molecular Properties

Compound Name(2,2,2-trifluoroethylamino) dihydrogen phosphate
PubChem CID175361747
Molecular FormulaC2H5F3NO4P
Molecular Weight195.03 g/mol
Exact Mass194.99
IUPAC Name(2,2,2-trifluoroethylamino) dihydrogen phosphate
SMILESO=P(O)(O)ONCC(F)(F)F
InChIInChI=1S/C2H5F3NO4P/c3-2(4,5)1-6-10-11(7,8)9/h6H,1H2,(H2,7,8,9)
InChIKeyIPABUHQYSJFPLB-UHFFFAOYSA-N
XLogP0.16
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.03
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-aminoethylamino) dihydrogen phosphate;platinum
CID 175317533
2,2,2-trifluoro-N-methoxyethanamine
CID 57444893
fluoro-N-[fluoro(2,2,2-trifluoroethoxy)phosphoryl]phosphonamidic acid
CID 130453511
1,1,1,5,5,5-hexafluoropentan-3-yl dihydrogen phosphate
CID 87107506
(phosphanylamino) dihydrogen phosphate
CID 151875786
trifluoromethyl dihydrogen phosphate
CID 23129820
bis(2,2,2-trifluoroethyl) hydrogen phosphate;N-methylmethanamine
CID 118073252
2,2,2-trifluoroethylcarbamoyl N-(2,2,2-trifluoroethyl)carbamate
CID 175955697
(3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-phosphonodecyl)phosphonic acid
CID 155293680
2,2,2-trifluoroethoxy(trifluoromethyl)phosphinic acid
CID 118503856
2,2-difluorobutyl dihydrogen phosphate
CID 151010291
6,6,6-trifluorohexyl dihydrogen phosphate
CID 87919212

Frequently Asked Questions

What is the IUPAC name of (2,2,2-trifluoroethylamino) dihydrogen phosphate?
The IUPAC name of (2,2,2-trifluoroethylamino) dihydrogen phosphate (CID 175361747) is (2,2,2-trifluoroethylamino) dihydrogen phosphate.
What is the SMILES notation for (2,2,2-trifluoroethylamino) dihydrogen phosphate?
The canonical SMILES for (2,2,2-trifluoroethylamino) dihydrogen phosphate is O=P(O)(O)ONCC(F)(F)F.
What is the InChIKey of (2,2,2-trifluoroethylamino) dihydrogen phosphate?
The InChIKey is IPABUHQYSJFPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5F3NO4P/c3-2(4,5)1-6-10-11(7,8)9/h6H,1H2,(H2,7,8,9).
What are the key properties of (2,2,2-trifluoroethylamino) dihydrogen phosphate?
(2,2,2-trifluoroethylamino) dihydrogen phosphate has a molecular weight of 195.03 g/mol, XLogP of 0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,2-trifluoroethylamino) dihydrogen phosphate is sourced from PubChem (CID 175361747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).