N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2,2-trifluoroacetamide

C6H10F3NO4 — CID 86096053

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2,2-trifluoroacetamide
SMILESO=C(NC(CO)(CO)CO)C(F)(F)F
InChIInChI=1S/C6H10F3NO4/c7-6(8,9)4(14)10-5(1-11,2-12)3-13/h11-13H,1-3H2,(H,10,14)
InChIKeyHXRVWHCBLSTTRW-UHFFFAOYSA-N
MW217.14 g/mol
LogP-1.62
Rot. Bonds4

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2,2-trifluoroacetamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 86096053) has the molecular formula C6H10F3NO4 and a molecular weight of 217.14 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2,2-trifluoroacetamide
PubChem CID86096053
Molecular FormulaC6H10F3NO4
Molecular Weight217.14 g/mol
Exact Mass217.06
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2,2-trifluoroacetamide
SMILESO=C(NC(CO)(CO)CO)C(F)(F)F
InChIInChI=1S/C6H10F3NO4/c7-6(8,9)4(14)10-5(1-11,2-12)3-13/h11-13H,1-3H2,(H,10,14)
InChIKeyHXRVWHCBLSTTRW-UHFFFAOYSA-N
XLogP-1.62
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 5-1.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2,2-trifluoroacetamide (CID 86096053) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2,2-trifluoroacetamide is O=C(NC(CO)(CO)CO)C(F)(F)F.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is HXRVWHCBLSTTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO4/c7-6(8,9)4(14)10-5(1-11,2-12)3-13/h11-13H,1-3H2,(H,10,14).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2,2-trifluoroacetamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 217.14 g/mol, XLogP of -1.62, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 86096053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).