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

C7H12F3NO4 — CID 107846744

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)NC(CO)(CO)CO
InChIInChI=1S/C7H12F3NO4/c8-7(9,10)1-5(15)11-6(2-12,3-13)4-14/h12-14H,1-4H2,(H,11,15)
InChIKeyXJUYFXICONGSAG-UHFFFAOYSA-N
MW231.17 g/mol
LogP-1.23
Rot. Bonds5

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

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,3,3-trifluoropropanamide (PubChem CID 107846744) has the molecular formula C7H12F3NO4 and a molecular weight of 231.17 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,3,3-trifluoropropanamide
PubChem CID107846744
Molecular FormulaC7H12F3NO4
Molecular Weight231.17 g/mol
Exact Mass231.07
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)NC(CO)(CO)CO
InChIInChI=1S/C7H12F3NO4/c8-7(9,10)1-5(15)11-6(2-12,3-13)4-14/h12-14H,1-4H2,(H,11,15)
InChIKeyXJUYFXICONGSAG-UHFFFAOYSA-N
XLogP-1.23
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 5-1.23
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]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,3,3-trifluoropropanamide (CID 107846744) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,3,3-trifluoropropanamide is O=C(CC(F)(F)F)NC(CO)(CO)CO.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,3,3-trifluoropropanamide?
The InChIKey is XJUYFXICONGSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO4/c8-7(9,10)1-5(15)11-6(2-12,3-13)4-14/h12-14H,1-4H2,(H,11,15).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,3,3-trifluoropropanamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,3,3-trifluoropropanamide has a molecular weight of 231.17 g/mol, XLogP of -1.23, 5 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]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 107846744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).