N-(2,3-dihydroxypropyl)carbamoyl fluoride

C4H8FNO3 — CID 58807427

IUPACN-(2,3-dihydroxypropyl)carbamoyl fluoride
SMILESO=C(F)NCC(O)CO
InChIInChI=1S/C4H8FNO3/c5-4(9)6-1-3(8)2-7/h3,7-8H,1-2H2,(H,6,9)
InChIKeyTVGIBXFWKZYHJP-UHFFFAOYSA-N
MW137.11 g/mol
LogP-0.98
Rot. Bonds3

About N-(2,3-dihydroxypropyl)carbamoyl fluoride

N-(2,3-dihydroxypropyl)carbamoyl fluoride (PubChem CID 58807427) has the molecular formula C4H8FNO3 and a molecular weight of 137.11 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)carbamoyl fluoride.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)carbamoyl fluoride
PubChem CID58807427
Molecular FormulaC4H8FNO3
Molecular Weight137.11 g/mol
Exact Mass137.05
IUPAC NameN-(2,3-dihydroxypropyl)carbamoyl fluoride
SMILESO=C(F)NCC(O)CO
InChIInChI=1S/C4H8FNO3/c5-4(9)6-1-3(8)2-7/h3,7-8H,1-2H2,(H,6,9)
InChIKeyTVGIBXFWKZYHJP-UHFFFAOYSA-N
XLogP-0.98
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.11
LogP ≤ 5-0.98
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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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)carbamoyl fluoride?
The IUPAC name of N-(2,3-dihydroxypropyl)carbamoyl fluoride (CID 58807427) is N-(2,3-dihydroxypropyl)carbamoyl fluoride.
What is the SMILES notation for N-(2,3-dihydroxypropyl)carbamoyl fluoride?
The canonical SMILES for N-(2,3-dihydroxypropyl)carbamoyl fluoride is O=C(F)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)carbamoyl fluoride?
The InChIKey is TVGIBXFWKZYHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO3/c5-4(9)6-1-3(8)2-7/h3,7-8H,1-2H2,(H,6,9).
What are the key properties of N-(2,3-dihydroxypropyl)carbamoyl fluoride?
N-(2,3-dihydroxypropyl)carbamoyl fluoride has a molecular weight of 137.11 g/mol, XLogP of -0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)carbamoyl fluoride is sourced from PubChem (CID 58807427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).