N-[1-(2,2-dimethylcyclopropyl)ethyl]-2,2,2-trifluoroacetamide

C9H14F3NO — CID 130971950

IUPACN-[1-(2,2-dimethylcyclopropyl)ethyl]-2,2,2-trifluoroacetamide
SMILESCC(NC(=O)C(F)(F)F)C1CC1(C)C
InChIInChI=1S/C9H14F3NO/c1-5(6-4-8(6,2)3)13-7(14)9(10,11)12/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyQRUNAQHZFYYLLG-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.10
Rot. Bonds2

About N-[1-(2,2-dimethylcyclopropyl)ethyl]-2,2,2-trifluoroacetamide

N-[1-(2,2-dimethylcyclopropyl)ethyl]-2,2,2-trifluoroacetamide (PubChem CID 130971950) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is N-[1-(2,2-dimethylcyclopropyl)ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-(2,2-dimethylcyclopropyl)ethyl]-2,2,2-trifluoroacetamide
PubChem CID130971950
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC NameN-[1-(2,2-dimethylcyclopropyl)ethyl]-2,2,2-trifluoroacetamide
SMILESCC(NC(=O)C(F)(F)F)C1CC1(C)C
InChIInChI=1S/C9H14F3NO/c1-5(6-4-8(6,2)3)13-7(14)9(10,11)12/h5-6H,4H2,1-3H3,(H,13,14)
InChIKeyQRUNAQHZFYYLLG-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-[1-(2,2-dimethylcyclopropyl)ethyl]-2-methylpropanamide
CID 131002161
N-(1-cyclobutylethyl)-2,2,2-trifluoroacetamide
CID 115769035
2-cyano-N-[1-(2,2-dimethylcyclopropyl)ethyl]acetamide
CID 130956031
2,2,2-trifluoro-N-[1-[1-[(2,2,2-trifluoroacetyl)amino]ethylamino]ethyl]acetamide
CID 22561436
2,2,2-trifluoro-N-(1-sulfanylethyl)acetamide
CID 141004071
2,2,2-trifluoro-N-(1-iodoethyl)acetamide
CID 22138228
N-[(2R)-3,3-dimethylbutan-2-yl]-2,2,2-trifluoroacetamide
CID 15742934
2,2,2-trifluoro-N-[(E,2S)-pent-3-en-2-yl]acetamide
CID 125476431
tert-butyl (2S)-2-[1-(2,2-dimethylcyclopropyl)ethylamino]propanoate
CID 119036154
2,2,2-trifluoro-N-[(2S)-1-(oxiran-2-yl)-1-oxopropan-2-yl]acetamide
CID 118532093
2-(1-bicyclo[1.1.1]pentanyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid
CID 167481342
2-(1-methylcyclopentyl)-2-[(2,2,2-trifluoroacetyl)amino]acetic acid
CID 167737694

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylcyclopropyl)ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-(2,2-dimethylcyclopropyl)ethyl]-2,2,2-trifluoroacetamide (CID 130971950) is N-[1-(2,2-dimethylcyclopropyl)ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-(2,2-dimethylcyclopropyl)ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-(2,2-dimethylcyclopropyl)ethyl]-2,2,2-trifluoroacetamide is CC(NC(=O)C(F)(F)F)C1CC1(C)C.
What is the InChIKey of N-[1-(2,2-dimethylcyclopropyl)ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is QRUNAQHZFYYLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-5(6-4-8(6,2)3)13-7(14)9(10,11)12/h5-6H,4H2,1-3H3,(H,13,14).
What are the key properties of N-[1-(2,2-dimethylcyclopropyl)ethyl]-2,2,2-trifluoroacetamide?
N-[1-(2,2-dimethylcyclopropyl)ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 209.21 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylcyclopropyl)ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 130971950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).