[[hydroxy(5,5,5-trifluoropentanoyl)amino]methylamino]methyl-methylphosphinic acid

C8H16F3N2O4P — CID 59082791

IUPAC[[hydroxy(5,5,5-trifluoropentanoyl)amino]methylamino]methyl-methylphosphinic acid
SMILESCP(=O)(O)CNCN(O)C(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3N2O4P/c1-18(16,17)6-12-5-13(15)7(14)3-2-4-8(9,10)11/h12,15H,2-6H2,1H3,(H,16,17)
InChIKeyFTJLUTIBMHILOW-UHFFFAOYSA-N
MW292.19 g/mol
LogP1.34
Rot. Bonds7

About [[hydroxy(5,5,5-trifluoropentanoyl)amino]methylamino]methyl-methylphosphinic acid

[[hydroxy(5,5,5-trifluoropentanoyl)amino]methylamino]methyl-methylphosphinic acid (PubChem CID 59082791) has the molecular formula C8H16F3N2O4P and a molecular weight of 292.19 g/mol. Its IUPAC name is [[hydroxy(5,5,5-trifluoropentanoyl)amino]methylamino]methyl-methylphosphinic acid.

Molecular Properties

Compound Name[[hydroxy(5,5,5-trifluoropentanoyl)amino]methylamino]methyl-methylphosphinic acid
PubChem CID59082791
Molecular FormulaC8H16F3N2O4P
Molecular Weight292.19 g/mol
Exact Mass292.08
IUPAC Name[[hydroxy(5,5,5-trifluoropentanoyl)amino]methylamino]methyl-methylphosphinic acid
SMILESCP(=O)(O)CNCN(O)C(=O)CCCC(F)(F)F
InChIInChI=1S/C8H16F3N2O4P/c1-18(16,17)6-12-5-13(15)7(14)3-2-4-8(9,10)11/h12,15H,2-6H2,1H3,(H,16,17)
InChIKeyFTJLUTIBMHILOW-UHFFFAOYSA-N
XLogP1.34
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.19
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[hydroxy(5,5,5-trifluoropentanoyl)amino]ethyl-propan-2-ylamino]ethyl-methylphosphinic acid
CID 59082881
methylphosphonic acid;bis(4,4,4-trifluorobutan-1-amine)
CID 171929841
7,7,7-trifluoro-2-methyl-2-(methylamino)heptan-3-one
CID 116566472
methyl (2S)-2-[methyl(5,5,5-trifluoropentanoyl)amino]hex-5-enoate
CID 86622316
1-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one
CID 116565331
1-(diethylamino)-7,7,7-trifluoroheptan-3-one
CID 115515964
5,5,5-trifluoro-N-(methoxymethyl)pentanamide
CID 87257308
(E)-8,8,8-trifluorooct-2-en-4-one
CID 103453511
4-(4,4,4-trifluorobutylamino)butanamide
CID 115513564
8,8,8-trifluorooctylphosphonic acid
CID 152742965
3-(methylamino)-N-(5,5,5-trifluoropentyl)propanamide
CID 115519420
methyl (Z)-7,7,7-trifluoro-3-hydroxyhept-2-enoate
CID 134893910

Frequently Asked Questions

What is the IUPAC name of [[hydroxy(5,5,5-trifluoropentanoyl)amino]methylamino]methyl-methylphosphinic acid?
The IUPAC name of [[hydroxy(5,5,5-trifluoropentanoyl)amino]methylamino]methyl-methylphosphinic acid (CID 59082791) is [[hydroxy(5,5,5-trifluoropentanoyl)amino]methylamino]methyl-methylphosphinic acid.
What is the SMILES notation for [[hydroxy(5,5,5-trifluoropentanoyl)amino]methylamino]methyl-methylphosphinic acid?
The canonical SMILES for [[hydroxy(5,5,5-trifluoropentanoyl)amino]methylamino]methyl-methylphosphinic acid is CP(=O)(O)CNCN(O)C(=O)CCCC(F)(F)F.
What is the InChIKey of [[hydroxy(5,5,5-trifluoropentanoyl)amino]methylamino]methyl-methylphosphinic acid?
The InChIKey is FTJLUTIBMHILOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N2O4P/c1-18(16,17)6-12-5-13(15)7(14)3-2-4-8(9,10)11/h12,15H,2-6H2,1H3,(H,16,17).
What are the key properties of [[hydroxy(5,5,5-trifluoropentanoyl)amino]methylamino]methyl-methylphosphinic acid?
[[hydroxy(5,5,5-trifluoropentanoyl)amino]methylamino]methyl-methylphosphinic acid has a molecular weight of 292.19 g/mol, XLogP of 1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[hydroxy(5,5,5-trifluoropentanoyl)amino]methylamino]methyl-methylphosphinic acid is sourced from PubChem (CID 59082791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).