1-methyl-N-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide

C9H14F3NO2 — CID 81339751

IUPAC1-methyl-N-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide
SMILESCC1(C(=O)NOCC(F)(F)F)CCCC1
InChIInChI=1S/C9H14F3NO2/c1-8(4-2-3-5-8)7(14)13-15-6-9(10,11)12/h2-6H2,1H3,(H,13,14)
InChIKeyYSAIAYKKYDENRK-UHFFFAOYSA-N
MW225.21 g/mol
LogP2.18
Rot. Bonds3

About 1-methyl-N-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide

1-methyl-N-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide (PubChem CID 81339751) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 1-methyl-N-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide
PubChem CID81339751
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name1-methyl-N-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide
SMILESCC1(C(=O)NOCC(F)(F)F)CCCC1
InChIInChI=1S/C9H14F3NO2/c1-8(4-2-3-5-8)7(14)13-15-6-9(10,11)12/h2-6H2,1H3,(H,13,14)
InChIKeyYSAIAYKKYDENRK-UHFFFAOYSA-N
XLogP2.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxamide
CID 82723804
4-ethyl-N-(2,2,2-trifluoroethoxy)piperidine-4-carboxamide
CID 82722066
4-amino-N-(2,2,2-trifluoroethoxy)oxane-4-carboxamide
CID 115556919
1-(4-aminophenyl)-N-(2,2,2-trifluoroethoxy)cyclopropane-1-carboxamide
CID 112558437
1-methyl-3-(2,2,2-trifluoroethoxy)urea
CID 115704057
2-[1-(2,2,2-trifluoroethoxycarbonylamino)cyclohexyl]acetic acid
CID 64673107
N-(2,2,2-trifluoroethoxy)bicyclo[3.1.0]hexane-6-carboxamide
CID 81340909
2-ethyl-N-(2,2,2-trifluoroethoxy)butanamide
CID 81340409
N-(2-hydroxy-2-methylpropyl)-1-methylcyclopentane-1-carboxamide
CID 79039696
N-[1-(bromomethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide
CID 114311375
1-[(2,2,2-trifluoroethoxyamino)methyl]cycloheptan-1-ol
CID 82722622
N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-1-methylcyclopentane-1-carboxamide
CID 104873764

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide?
The IUPAC name of 1-methyl-N-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide (CID 81339751) is 1-methyl-N-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide?
The canonical SMILES for 1-methyl-N-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide is CC1(C(=O)NOCC(F)(F)F)CCCC1.
What is the InChIKey of 1-methyl-N-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide?
The InChIKey is YSAIAYKKYDENRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-8(4-2-3-5-8)7(14)13-15-6-9(10,11)12/h2-6H2,1H3,(H,13,14).
What are the key properties of 1-methyl-N-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide?
1-methyl-N-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide has a molecular weight of 225.21 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide is sourced from PubChem (CID 81339751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).