N-(2-hydroxyethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide

C9H16F3NO3 — CID 103857530

IUPACN-(2-hydroxyethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESCOCCCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-16-6-2-3-8(15)13(4-5-14)7-9(10,11)12/h14H,2-7H2,1H3
InChIKeySPZGQTIBYVQXIF-UHFFFAOYSA-N
MW243.22 g/mol
LogP0.80
Rot. Bonds7

About N-(2-hydroxyethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide

N-(2-hydroxyethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 103857530) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID103857530
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC NameN-(2-hydroxyethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESCOCCCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-16-6-2-3-8(15)13(4-5-14)7-9(10,11)12/h14H,2-7H2,1H3
InChIKeySPZGQTIBYVQXIF-UHFFFAOYSA-N
XLogP0.80
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3,4,4,4-Heptafluoro-N-(2-hydroxyethyl)-N-methylbutanamide
CID 91737616
2,2-difluoro-N,N-bis(2-methoxyethyl)butanamide
CID 10955643
N-butyl-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
CID 61448362
2-Hydroxyethyl-dimethyl-(5,5,5-trifluoropentanoyl)azanium
CID 17914030
Ethyl 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoate
CID 64327506
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 64590916
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propan-2-ylbutanamide
CID 65710967
N-ethyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butanamide
CID 65710972
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-methylbutanamide
CID 65710973
4,4,4-trifluoro-N,N-bis(2-hydroxyethyl)butanamide
CID 65711157
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propylbutanamide
CID 65711161
N-butyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butanamide
CID 65711162

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of N-(2-hydroxyethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide (CID 103857530) is N-(2-hydroxyethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide is COCCCC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is SPZGQTIBYVQXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-16-6-2-3-8(15)13(4-5-14)7-9(10,11)12/h14H,2-7H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide?
N-(2-hydroxyethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 243.22 g/mol, XLogP of 0.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 103857530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).