N-[2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]carbamoyl fluoride

C6H8F4N2O3 — CID 88952880

IUPACN-[2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]carbamoyl fluoride
SMILESO=C(F)NCC(O)CNC(=O)C(F)(F)F
InChIInChI=1S/C6H8F4N2O3/c7-5(15)12-2-3(13)1-11-4(14)6(8,9)10/h3,13H,1-2H2,(H,11,14)(H,12,15)
InChIKeyFTCNURYDSMSKNX-UHFFFAOYSA-N
MW232.13 g/mol
LogP-0.30
Rot. Bonds4

About N-[2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]carbamoyl fluoride

N-[2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]carbamoyl fluoride (PubChem CID 88952880) has the molecular formula C6H8F4N2O3 and a molecular weight of 232.13 g/mol. Its IUPAC name is N-[2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]carbamoyl fluoride.

Molecular Properties

Compound NameN-[2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]carbamoyl fluoride
PubChem CID88952880
Molecular FormulaC6H8F4N2O3
Molecular Weight232.13 g/mol
Exact Mass232.05
IUPAC NameN-[2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]carbamoyl fluoride
SMILESO=C(F)NCC(O)CNC(=O)C(F)(F)F
InChIInChI=1S/C6H8F4N2O3/c7-5(15)12-2-3(13)1-11-4(14)6(8,9)10/h3,13H,1-2H2,(H,11,14)(H,12,15)
InChIKeyFTCNURYDSMSKNX-UHFFFAOYSA-N
XLogP-0.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.13
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-[2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 361854
N-(2,3-dihydroxypropyl)-2,2,2-trifluoroacetamide
CID 23504043
N-(3-acetylamino-2-hydroxypropyl)acetamide
CID 332254
N,N'-(2-hydroxy-1,3-propanediyl)bis(2,2,3,3,3-pentafluoropropanamide)
CID 2851781
2,2,2-trifluoro-N-[4-[2-hydroxypropyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]acetamide
CID 10524722
(2R)-2-hydroxy-N-(2,2,2-trifluoroethyl)propanamide
CID 10942889
N-(3-amino-2-hydroxypropyl)-2,2,2-trifluoroacetamide;2,2,2-trifluoroacetic acid
CID 23170381
N-(3-amino-2-hydroxypropyl)-2,2,2-trifluoroacetamide
CID 23170382
2,2-difluoro-N-(2-hydroxyethyl)propanamide
CID 26188900
2-hydroxy-N-(2,2,2-trifluoroethyl)propanamide
CID 57278446
N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 59473950
2,2,2-trifluoro-N-(2-hydroxypropyl)acetamide
CID 60999629

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]carbamoyl fluoride?
The IUPAC name of N-[2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]carbamoyl fluoride (CID 88952880) is N-[2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]carbamoyl fluoride.
What is the SMILES notation for N-[2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]carbamoyl fluoride?
The canonical SMILES for N-[2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]carbamoyl fluoride is O=C(F)NCC(O)CNC(=O)C(F)(F)F.
What is the InChIKey of N-[2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]carbamoyl fluoride?
The InChIKey is FTCNURYDSMSKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F4N2O3/c7-5(15)12-2-3(13)1-11-4(14)6(8,9)10/h3,13H,1-2H2,(H,11,14)(H,12,15).
What are the key properties of N-[2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]carbamoyl fluoride?
N-[2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]carbamoyl fluoride has a molecular weight of 232.13 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]propyl]carbamoyl fluoride is sourced from PubChem (CID 88952880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).