2,2,2-trifluoro-N,N-bis(1-hydroxyethyl)acetamide

C6H10F3NO3 — CID 87286137

IUPAC2,2,2-trifluoro-N,N-bis(1-hydroxyethyl)acetamide
SMILESCC(O)N(C(=O)C(F)(F)F)C(C)O
InChIInChI=1S/C6H10F3NO3/c1-3(11)10(4(2)12)5(13)6(7,8)9/h3-4,11-12H,1-2H3
InChIKeyPGHMYFNFLWSSND-UHFFFAOYSA-N
MW201.14 g/mol
LogP0.05
Rot. Bonds2

About 2,2,2-trifluoro-N,N-bis(1-hydroxyethyl)acetamide

2,2,2-trifluoro-N,N-bis(1-hydroxyethyl)acetamide (PubChem CID 87286137) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-N,N-bis(1-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N,N-bis(1-hydroxyethyl)acetamide
PubChem CID87286137
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Name2,2,2-trifluoro-N,N-bis(1-hydroxyethyl)acetamide
SMILESCC(O)N(C(=O)C(F)(F)F)C(C)O
InChIInChI=1S/C6H10F3NO3/c1-3(11)10(4(2)12)5(13)6(7,8)9/h3-4,11-12H,1-2H3
InChIKeyPGHMYFNFLWSSND-UHFFFAOYSA-N
XLogP0.05
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 50.05
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-methyl-N-trifluoroacetyl ethanoloamine
CID 57161818
N-Ethyl-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
CID 60999971
ethanol-N,N'-dimethyl formamide
CID 87075040
2,2,2-trifluoro-N-(2-hydroxyethyl)-N-propylacetamide
CID 61424901
N-butyl-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
CID 61448362
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 64590692
Acetamide, trifluoro-N-trifluoroacetyl-N-(2-hydroxyethyl)-
CID 91712836
2,2,3,3,3-Pentafluoro-N-(2-hydroxyethyl)-N-methylpropanamide
CID 91730500
N-Ethyl-2,2,3,3,3-pentafluoro-N-(2-hydroxyethyl)propanamide
CID 91733399
2,2,2-trifluoro-N,N-bis(2-hydroxyethyl)acetamide
CID 1925938
4-(N-Methyl-trifluoroacetamido)-1-butanol
CID 10512190
N-(2,2,2-trifluoroethyl)-N-methyl-hydroxyacetic acid amide
CID 13090851

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N,N-bis(1-hydroxyethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N,N-bis(1-hydroxyethyl)acetamide (CID 87286137) is 2,2,2-trifluoro-N,N-bis(1-hydroxyethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N,N-bis(1-hydroxyethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N,N-bis(1-hydroxyethyl)acetamide is CC(O)N(C(=O)C(F)(F)F)C(C)O.
What is the InChIKey of 2,2,2-trifluoro-N,N-bis(1-hydroxyethyl)acetamide?
The InChIKey is PGHMYFNFLWSSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3/c1-3(11)10(4(2)12)5(13)6(7,8)9/h3-4,11-12H,1-2H3.
What are the key properties of 2,2,2-trifluoro-N,N-bis(1-hydroxyethyl)acetamide?
2,2,2-trifluoro-N,N-bis(1-hydroxyethyl)acetamide has a molecular weight of 201.14 g/mol, XLogP of 0.05, 2 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,N-bis(1-hydroxyethyl)acetamide is sourced from PubChem (CID 87286137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).