2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane-1-carboxamide

C10H16F3NO2 — CID 78858799

IUPAC2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCCOCC(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-7-5-8(7)9(15)14-3-2-4-16-6-10(11,12)13/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyKEIPXONDAFOCCZ-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.73
Rot. Bonds6

About 2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane-1-carboxamide

2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane-1-carboxamide (PubChem CID 78858799) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane-1-carboxamide
PubChem CID78858799
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCCOCC(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-7-5-8(7)9(15)14-3-2-4-16-6-10(11,12)13/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyKEIPXONDAFOCCZ-UHFFFAOYSA-N
XLogP1.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978794
2-[3-(2-methoxyethoxy)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974582
cis-(1S,3R)-3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092359
trans-(1S,2S)-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94166299
6-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 63828896
N-(3-aminopropyl)-2-methylcyclopropane-1-carboxamide
CID 24711673
4-[(2-methylcyclopropanecarbonyl)amino]butanoic acid
CID 16772815
N-(6-hydroxyhexyl)-2-methylcyclopropane-1-carboxamide
CID 103919117
6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
CID 63829009
(5S)-5-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]-1,4-thiazepane-4-carboxamide
CID 99832212
cis-(1R,2S)-2-methyl-N-propylcyclopropane-1-carboxamide
CID 95357811
2-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane-1-carboxylic acid
CID 81008690

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane-1-carboxamide (CID 78858799) is 2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane-1-carboxamide is CC1CC1C(=O)NCCCOCC(F)(F)F.
What is the InChIKey of 2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane-1-carboxamide?
The InChIKey is KEIPXONDAFOCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-7-5-8(7)9(15)14-3-2-4-16-6-10(11,12)13/h7-8H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane-1-carboxamide?
2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane-1-carboxamide has a molecular weight of 239.24 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 78858799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).