2-[4-(diethoxyphosphorylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C13H16F6NO4P — CID 58977213

IUPAC2-[4-(diethoxyphosphorylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCOP(=O)(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)OCC
InChIInChI=1S/C13H16F6NO4P/c1-3-23-25(22,24-4-2)20-10-7-5-9(6-8-10)11(21,12(14,15)16)13(17,18)19/h5-8,21H,3-4H2,1-2H3,(H,20,22)
InChIKeyFBXZCXSVPYFIHQ-UHFFFAOYSA-N
MW395.24 g/mol
LogP4.59
Rot. Bonds7

About 2-[4-(diethoxyphosphorylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[4-(diethoxyphosphorylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 58977213) has the molecular formula C13H16F6NO4P and a molecular weight of 395.24 g/mol. Its IUPAC name is 2-[4-(diethoxyphosphorylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-(diethoxyphosphorylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID58977213
Molecular FormulaC13H16F6NO4P
Molecular Weight395.24 g/mol
Exact Mass395.07
IUPAC Name2-[4-(diethoxyphosphorylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCOP(=O)(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)OCC
InChIInChI=1S/C13H16F6NO4P/c1-3-23-25(22,24-4-2)20-10-7-5-9(6-8-10)11(21,12(14,15)16)13(17,18)19/h5-8,21H,3-4H2,1-2H3,(H,20,22)
InChIKeyFBXZCXSVPYFIHQ-UHFFFAOYSA-N
XLogP4.59
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(diethoxyphosphorylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 631065
ethyl N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-methylcarbamate
CID 653465
CID 67826545
CID 67826545
1,1,1,3,3-pentafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]butan-2-ol
CID 156598959
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2-methoxybenzamide
CID 1188387
ethyl (2Z)-2-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]hydrazinylidene]-3-phenylpropanoate
CID 88796860
[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methylcarbamic acid
CID 170166266
methyl (2R)-4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]benzoyl]amino]-2-hydroxybutanoate
CID 44968113
1-diethoxyphosphoryl-N-(4-fluorophenyl)methanethioamide
CID 138971382
4-[[ethoxy(ethynyl)phosphoryl]amino]benzoic acid
CID 138971401
tert-butyl N-[4-(3-diethoxyphosphorylpentan-3-yl)phenyl]carbamate
CID 123627272
ethyl (2S)-2-[4-[[(R)-diethoxyphosphoryl-(4-methoxyphenyl)methyl]amino]phenyl]-3,3,3-trifluoro-2-hydroxypropanoate
CID 40733853

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethoxyphosphorylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[4-(diethoxyphosphorylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 58977213) is 2-[4-(diethoxyphosphorylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[4-(diethoxyphosphorylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[4-(diethoxyphosphorylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is CCOP(=O)(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)OCC.
What is the InChIKey of 2-[4-(diethoxyphosphorylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is FBXZCXSVPYFIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F6NO4P/c1-3-23-25(22,24-4-2)20-10-7-5-9(6-8-10)11(21,12(14,15)16)13(17,18)19/h5-8,21H,3-4H2,1-2H3,(H,20,22).
What are the key properties of 2-[4-(diethoxyphosphorylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[4-(diethoxyphosphorylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 395.24 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethoxyphosphorylamino)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 58977213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).