N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C8H11F6NO4 — CID 107846714

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESO=C(NC(CO)(CO)CO)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6NO4/c9-7(10,11)4(8(12,13)14)5(19)15-6(1-16,2-17)3-18/h4,16-18H,1-3H2,(H,15,19)
InChIKeyDRBAQEKCLONXMY-UHFFFAOYSA-N
MW299.17 g/mol
LogP-0.44
Rot. Bonds5

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 107846714) has the molecular formula C8H11F6NO4 and a molecular weight of 299.17 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID107846714
Molecular FormulaC8H11F6NO4
Molecular Weight299.17 g/mol
Exact Mass299.06
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESO=C(NC(CO)(CO)CO)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6NO4/c9-7(10,11)4(8(12,13)14)5(19)15-6(1-16,2-17)3-18/h4,16-18H,1-3H2,(H,15,19)
InChIKeyDRBAQEKCLONXMY-UHFFFAOYSA-N
XLogP-0.44
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 5-0.44
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-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 107846714) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is O=C(NC(CO)(CO)CO)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is DRBAQEKCLONXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F6NO4/c9-7(10,11)4(8(12,13)14)5(19)15-6(1-16,2-17)3-18/h4,16-18H,1-3H2,(H,15,19).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 299.17 g/mol, XLogP of -0.44, 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-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 107846714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).