trans-(1S,2S)-N-(2-amino-2-oxoethoxy)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C10H15F3N2O3 — CID 97339840

IUPACtrans-(1S,2S)-N-(2-amino-2-oxoethoxy)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESNC(=O)CONC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)7-4-2-1-3-6(7)9(17)15-18-5-8(14)16/h6-7H,1-5H2,(H2,14,16)(H,15,17)/t6-,7-/m0/s1
InChIKeyMBLQRJNYGPQCKD-BQBZGAKWSA-N
MW268.23 g/mol
LogP0.89
Rot. Bonds4

About trans-(1S,2S)-N-(2-amino-2-oxoethoxy)-2-(trifluoromethyl)cyclohexane-1-carboxamide

trans-(1S,2S)-N-(2-amino-2-oxoethoxy)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 97339840) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is trans-(1S,2S)-N-(2-amino-2-oxoethoxy)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-(2-amino-2-oxoethoxy)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID97339840
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Nametrans-(1S,2S)-N-(2-amino-2-oxoethoxy)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESNC(=O)CONC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)7-4-2-1-3-6(7)9(17)15-18-5-8(14)16/h6-7H,1-5H2,(H2,14,16)(H,15,17)/t6-,7-/m0/s1
InChIKeyMBLQRJNYGPQCKD-BQBZGAKWSA-N
XLogP0.89
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-(2-amino-2-oxoethoxy)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-(2-amino-2-oxoethoxy)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 97339840) is trans-(1S,2S)-N-(2-amino-2-oxoethoxy)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-(2-amino-2-oxoethoxy)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-(2-amino-2-oxoethoxy)-2-(trifluoromethyl)cyclohexane-1-carboxamide is NC(=O)CONC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F.
What is the InChIKey of trans-(1S,2S)-N-(2-amino-2-oxoethoxy)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is MBLQRJNYGPQCKD-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c11-10(12,13)7-4-2-1-3-6(7)9(17)15-18-5-8(14)16/h6-7H,1-5H2,(H2,14,16)(H,15,17)/t6-,7-/m0/s1.
What are the key properties of trans-(1S,2S)-N-(2-amino-2-oxoethoxy)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
trans-(1S,2S)-N-(2-amino-2-oxoethoxy)-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 268.23 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-(2-amino-2-oxoethoxy)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 97339840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).