2,2,2-trifluoro-N-(hydroxymethyl)-N-(3-hydroxypropyl)acetamide

C6H10F3NO3 — CID 139911894

IUPAC2,2,2-trifluoro-N-(hydroxymethyl)-N-(3-hydroxypropyl)acetamide
SMILESO=C(N(CO)CCCO)C(F)(F)F
InChIInChI=1S/C6H10F3NO3/c7-6(8,9)5(13)10(4-12)2-1-3-11/h11-12H,1-4H2
InChIKeyPMRVYMWGAPHJRD-UHFFFAOYSA-N
MW201.14 g/mol
LogP-0.29
Rot. Bonds4

About 2,2,2-trifluoro-N-(hydroxymethyl)-N-(3-hydroxypropyl)acetamide

2,2,2-trifluoro-N-(hydroxymethyl)-N-(3-hydroxypropyl)acetamide (PubChem CID 139911894) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(hydroxymethyl)-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(hydroxymethyl)-N-(3-hydroxypropyl)acetamide
PubChem CID139911894
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Name2,2,2-trifluoro-N-(hydroxymethyl)-N-(3-hydroxypropyl)acetamide
SMILESO=C(N(CO)CCCO)C(F)(F)F
InChIInChI=1S/C6H10F3NO3/c7-6(8,9)5(13)10(4-12)2-1-3-11/h11-12H,1-4H2
InChIKeyPMRVYMWGAPHJRD-UHFFFAOYSA-N
XLogP-0.29
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(3-Hydroxypropyl)trifluoroacetamide
CID 1987732
N-(3-hydroxypropyl)-N-methylacetamide
CID 14280024
2,2,2-trifluoro-N-(2-hydroxyethyl)-N-propylacetamide
CID 61424901
2,2,2-trifluoro-N,N-bis(2-hydroxyethyl)acetamide
CID 1925938
4-(N-Methyl-trifluoroacetamido)-1-butanol
CID 10512190
N-methyl-N-(3,3,3-trifluoro-1-hydroxypropyl)acetamide
CID 25029674
N-Methyl-N-trifluoroacetylaminoethanol
CID 86752689
2,2,2-trifluoro-N,N-bis(1-hydroxyethyl)acetamide
CID 87286137
N-(3-hydroxypropyl)-N-(trifluoromethyl)formamide
CID 87321686
N-(difluoromethyl)-N-(3-hydroxypropyl)formamide
CID 87322077
2,2,2-trifluoro-N-(1-hydroxybutyl)-N-methylacetamide
CID 88174553
2,2,2-trifluoro-N-(3-hydroxybutyl)-N-methylacetamide
CID 90093955

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(hydroxymethyl)-N-(3-hydroxypropyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(hydroxymethyl)-N-(3-hydroxypropyl)acetamide (CID 139911894) is 2,2,2-trifluoro-N-(hydroxymethyl)-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(hydroxymethyl)-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(hydroxymethyl)-N-(3-hydroxypropyl)acetamide is O=C(N(CO)CCCO)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(hydroxymethyl)-N-(3-hydroxypropyl)acetamide?
The InChIKey is PMRVYMWGAPHJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3/c7-6(8,9)5(13)10(4-12)2-1-3-11/h11-12H,1-4H2.
What are the key properties of 2,2,2-trifluoro-N-(hydroxymethyl)-N-(3-hydroxypropyl)acetamide?
2,2,2-trifluoro-N-(hydroxymethyl)-N-(3-hydroxypropyl)acetamide has a molecular weight of 201.14 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(hydroxymethyl)-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 139911894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).