N-(2,3-dihydroxypropyl)-2,2,2-trifluoroacetamide

C5H8F3NO3 — CID 23504043

IUPACN-(2,3-dihydroxypropyl)-2,2,2-trifluoroacetamide
SMILESO=C(NCC(O)CO)C(F)(F)F
InChIInChI=1S/C5H8F3NO3/c6-5(7,8)4(12)9-1-3(11)2-10/h3,10-11H,1-2H2,(H,9,12)
InChIKeyBCNQROVQMOOXOQ-UHFFFAOYSA-N
MW187.12 g/mol
LogP-0.98
Rot. Bonds3

About N-(2,3-dihydroxypropyl)-2,2,2-trifluoroacetamide

N-(2,3-dihydroxypropyl)-2,2,2-trifluoroacetamide (PubChem CID 23504043) has the molecular formula C5H8F3NO3 and a molecular weight of 187.12 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2,2,2-trifluoroacetamide
PubChem CID23504043
Molecular FormulaC5H8F3NO3
Molecular Weight187.12 g/mol
Exact Mass187.05
IUPAC NameN-(2,3-dihydroxypropyl)-2,2,2-trifluoroacetamide
SMILESO=C(NCC(O)CO)C(F)(F)F
InChIInChI=1S/C5H8F3NO3/c6-5(7,8)4(12)9-1-3(11)2-10/h3,10-11H,1-2H2,(H,9,12)
InChIKeyBCNQROVQMOOXOQ-UHFFFAOYSA-N
XLogP-0.98
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.12
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2,2,2-trifluoroacetamide (CID 23504043) is N-(2,3-dihydroxypropyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2,2,2-trifluoroacetamide is O=C(NCC(O)CO)C(F)(F)F.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2,2,2-trifluoroacetamide?
The InChIKey is BCNQROVQMOOXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO3/c6-5(7,8)4(12)9-1-3(11)2-10/h3,10-11H,1-2H2,(H,9,12).
What are the key properties of N-(2,3-dihydroxypropyl)-2,2,2-trifluoroacetamide?
N-(2,3-dihydroxypropyl)-2,2,2-trifluoroacetamide has a molecular weight of 187.12 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)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 23504043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).