N-(2,2,2-trifluoroethoxy)bicyclo[3.1.0]hexane-6-carboxamide

C9H12F3NO2 — CID 81340909

IUPACN-(2,2,2-trifluoroethoxy)bicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NOCC(F)(F)F)C1C2CCCC21
InChIInChI=1S/C9H12F3NO2/c10-9(11,12)4-15-13-8(14)7-5-2-1-3-6(5)7/h5-7H,1-4H2,(H,13,14)
InChIKeyISPUQRFLQWTFBY-UHFFFAOYSA-N
MW223.19 g/mol
LogP1.64
Rot. Bonds3

About N-(2,2,2-trifluoroethoxy)bicyclo[3.1.0]hexane-6-carboxamide

N-(2,2,2-trifluoroethoxy)bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 81340909) has the molecular formula C9H12F3NO2 and a molecular weight of 223.19 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID81340909
Molecular FormulaC9H12F3NO2
Molecular Weight223.19 g/mol
Exact Mass223.08
IUPAC NameN-(2,2,2-trifluoroethoxy)bicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NOCC(F)(F)F)C1C2CCCC21
InChIInChI=1S/C9H12F3NO2/c10-9(11,12)4-15-13-8(14)7-5-2-1-3-6(5)7/h5-7H,1-4H2,(H,13,14)
InChIKeyISPUQRFLQWTFBY-UHFFFAOYSA-N
XLogP1.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 51.64
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

N-(2,2,2-trifluoroethoxy)oxolane-2-carboxamide
CID 81341090
N-(2,2,2-trifluoroethoxy)pyrrolidine-2-carboxamide
CID 81433256
4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxamide
CID 81339919
3-N-(2,2,2-trifluoroethoxy)piperidine-1,3-dicarboxamide
CID 81340627
1-methylsulfonyl-N-(2,2,2-trifluoroethoxy)piperidine-3-carboxamide
CID 81343242
2,2,2-trifluoroethyl N-cyclobutylcarbamate
CID 63716209
2-(2,2,2-trifluoroethoxyamino)cyclopentan-1-ol
CID 82722134
N-(2-amino-2-ethylbutyl)bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 119640656
N-(2,2,2-trifluoroethoxy)cyclobutanamine
CID 82711029
N-(2,2-difluoro-3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 104857980
1-methyl-N-(2,2,2-trifluoroethoxy)cyclopentane-1-carboxamide
CID 81339751
N-(3-chloro-2,2-dimethylpropyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 115364638

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxy)bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethoxy)bicyclo[3.1.0]hexane-6-carboxamide (CID 81340909) is N-(2,2,2-trifluoroethoxy)bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)bicyclo[3.1.0]hexane-6-carboxamide is O=C(NOCC(F)(F)F)C1C2CCCC21.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is ISPUQRFLQWTFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2/c10-9(11,12)4-15-13-8(14)7-5-2-1-3-6(5)7/h5-7H,1-4H2,(H,13,14).
What are the key properties of N-(2,2,2-trifluoroethoxy)bicyclo[3.1.0]hexane-6-carboxamide?
N-(2,2,2-trifluoroethoxy)bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 223.19 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 81340909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).