N-pent-3-ynyl-2-(2,2,2-trifluoroethoxy)acetamide

C9H12F3NO2 — CID 103951564

IUPACN-pent-3-ynyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC#CCCNC(=O)COCC(F)(F)F
InChIInChI=1S/C9H12F3NO2/c1-2-3-4-5-13-8(14)6-15-7-9(10,11)12/h4-7H2,1H3,(H,13,14)
InChIKeyODFRGECXRPQSKU-UHFFFAOYSA-N
MW223.19 g/mol
LogP1.09
Rot. Bonds5

About N-pent-3-ynyl-2-(2,2,2-trifluoroethoxy)acetamide

N-pent-3-ynyl-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103951564) has the molecular formula C9H12F3NO2 and a molecular weight of 223.19 g/mol. Its IUPAC name is N-pent-3-ynyl-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-pent-3-ynyl-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103951564
Molecular FormulaC9H12F3NO2
Molecular Weight223.19 g/mol
Exact Mass223.08
IUPAC NameN-pent-3-ynyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC#CCCNC(=O)COCC(F)(F)F
InChIInChI=1S/C9H12F3NO2/c1-2-3-4-5-13-8(14)6-15-7-9(10,11)12/h4-7H2,1H3,(H,13,14)
InChIKeyODFRGECXRPQSKU-UHFFFAOYSA-N
XLogP1.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103807475
2-chloro-N-pent-3-ynylacetamide
CID 116643290
N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103820669
N-(3,3-dimethyl-2-oxobutyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103867644
3-methoxy-3-methyl-N-pent-3-ynylbutanamide
CID 103022333
3-ethoxy-N-pent-3-ynylpropanamide
CID 115977143
N-(2-pyrrolidin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209753
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 111112881
N-(3-amino-2,2-difluoropropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 104954954
N-(3-chloro-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212390
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 113331571
1-(2,2,3,3-tetrafluoropropoxy)hept-5-yn-2-one
CID 103473818

Frequently Asked Questions

What is the IUPAC name of N-pent-3-ynyl-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-pent-3-ynyl-2-(2,2,2-trifluoroethoxy)acetamide (CID 103951564) is N-pent-3-ynyl-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-pent-3-ynyl-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-pent-3-ynyl-2-(2,2,2-trifluoroethoxy)acetamide is CC#CCCNC(=O)COCC(F)(F)F.
What is the InChIKey of N-pent-3-ynyl-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is ODFRGECXRPQSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2/c1-2-3-4-5-13-8(14)6-15-7-9(10,11)12/h4-7H2,1H3,(H,13,14).
What are the key properties of N-pent-3-ynyl-2-(2,2,2-trifluoroethoxy)acetamide?
N-pent-3-ynyl-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 223.19 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-3-ynyl-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103951564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).