methoxy-[2,2,2-trifluoro-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid

C11H13F3NO5P — CID 11824259

IUPACmethoxy-[2,2,2-trifluoro-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
SMILESCOP(=O)(O)C(NC(=O)OCc1ccccc1)C(F)(F)F
InChIInChI=1S/C11H13F3NO5P/c1-19-21(17,18)9(11(12,13)14)15-10(16)20-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyGHFLIIPNVAYJKE-UHFFFAOYSA-N
MW327.19 g/mol
LogP2.63
Rot. Bonds5

About methoxy-[2,2,2-trifluoro-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid

methoxy-[2,2,2-trifluoro-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid (PubChem CID 11824259) has the molecular formula C11H13F3NO5P and a molecular weight of 327.19 g/mol. Its IUPAC name is methoxy-[2,2,2-trifluoro-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid.

Molecular Properties

Compound Namemethoxy-[2,2,2-trifluoro-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
PubChem CID11824259
Molecular FormulaC11H13F3NO5P
Molecular Weight327.19 g/mol
Exact Mass327.05
IUPAC Namemethoxy-[2,2,2-trifluoro-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
SMILESCOP(=O)(O)C(NC(=O)OCc1ccccc1)C(F)(F)F
InChIInChI=1S/C11H13F3NO5P/c1-19-21(17,18)9(11(12,13)14)15-10(16)20-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyGHFLIIPNVAYJKE-UHFFFAOYSA-N
XLogP2.63
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methoxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
CID 12074004
methyl 3,3,3-trifluoro-2-(phenylmethoxycarbonylamino)propanoate
CID 11077150
[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphonic acid
CID 12524618
benzyl N-(1-amino-2,2,2-trifluoroethyl)carbamate
CID 45036579
benzyl N-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]carbamate
CID 825900
methyl 2-dimethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate
CID 2734718
benzyl N-[(2S)-1-[(1-diphenoxyphosphoryl-2,2,2-trifluoroethyl)amino]-1-oxopropan-2-yl]carbamate
CID 11135290
methoxy-[3-phenyl-2-(phenylmethoxycarbonylamino)propyl]phosphinic acid
CID 23213402
ethyl 4,4,4-trifluoro-3-(phenylmethoxycarbonylamino)butanoate
CID 162782346
dimethyl 2,2-difluoro-4-(phenylmethoxycarbonylamino)pentanedioate
CID 56926837
benzyl N-[(1S)-1-dimethoxyphosphorylpropyl]carbamate
CID 101044856
(2,2,2-trifluoroacetyl) (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 174584245

Frequently Asked Questions

What is the IUPAC name of methoxy-[2,2,2-trifluoro-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid?
The IUPAC name of methoxy-[2,2,2-trifluoro-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid (CID 11824259) is methoxy-[2,2,2-trifluoro-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid.
What is the SMILES notation for methoxy-[2,2,2-trifluoro-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid?
The canonical SMILES for methoxy-[2,2,2-trifluoro-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid is COP(=O)(O)C(NC(=O)OCc1ccccc1)C(F)(F)F.
What is the InChIKey of methoxy-[2,2,2-trifluoro-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid?
The InChIKey is GHFLIIPNVAYJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3NO5P/c1-19-21(17,18)9(11(12,13)14)15-10(16)20-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of methoxy-[2,2,2-trifluoro-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid?
methoxy-[2,2,2-trifluoro-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid has a molecular weight of 327.19 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[2,2,2-trifluoro-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid is sourced from PubChem (CID 11824259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).