N-[2-(4-aminocyclohexyl)oxyethyl]-2,2-difluoroacetamide

C10H18F2N2O2 — CID 103514165

IUPACN-[2-(4-aminocyclohexyl)oxyethyl]-2,2-difluoroacetamide
SMILESNC1CCC(OCCNC(=O)C(F)F)CC1
InChIInChI=1S/C10H18F2N2O2/c11-9(12)10(15)14-5-6-16-8-3-1-7(13)2-4-8/h7-9H,1-6,13H2,(H,14,15)
InChIKeyYYOHEQOPDFPHEM-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.65
Rot. Bonds5

About N-[2-(4-aminocyclohexyl)oxyethyl]-2,2-difluoroacetamide

N-[2-(4-aminocyclohexyl)oxyethyl]-2,2-difluoroacetamide (PubChem CID 103514165) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is N-[2-(4-aminocyclohexyl)oxyethyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[2-(4-aminocyclohexyl)oxyethyl]-2,2-difluoroacetamide
PubChem CID103514165
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC NameN-[2-(4-aminocyclohexyl)oxyethyl]-2,2-difluoroacetamide
SMILESNC1CCC(OCCNC(=O)C(F)F)CC1
InChIInChI=1S/C10H18F2N2O2/c11-9(12)10(15)14-5-6-16-8-3-1-7(13)2-4-8/h7-9H,1-6,13H2,(H,14,15)
InChIKeyYYOHEQOPDFPHEM-UHFFFAOYSA-N
XLogP0.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylbutanamide
CID 63869286
2-methylpropyl N-[3-(4-aminocyclohexyl)oxypropyl]carbamate
CID 63870091
N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dihydroxybenzamide
CID 107704978
1-[3-(4-aminocyclohexyl)oxypropyl]-3-propylurea
CID 63870768
N-[2-(4-aminocyclohexyl)oxyethyl]-4-fluoro-3-methylbenzamide
CID 63870470
1-[2-(4-aminocyclohexyl)oxyethyl]-3-(3-fluorophenyl)urea
CID 63869255
N-[2-(4-aminocyclohexyl)oxyethyl]-2-bromo-5-fluorobenzamide
CID 63870800
N-[2-(4-aminocyclohexyl)oxyethyl]-3,4-difluorobenzamide
CID 63871300
N-[3-(4-aminocyclohexyl)oxypropyl]-2-propan-2-yloxyacetamide
CID 112603398
1-[2-(4-aminocyclohexyl)oxyethyl]-3-phenylurea
CID 63869416
2-amino-N-(2-cyclopentyloxyethyl)-3-methylbutanamide
CID 63828819
(2R)-2-amino-N-(2-cycloheptyloxyethyl)propanamide;hydrochloride
CID 119325372

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-2,2-difluoroacetamide?
The IUPAC name of N-[2-(4-aminocyclohexyl)oxyethyl]-2,2-difluoroacetamide (CID 103514165) is N-[2-(4-aminocyclohexyl)oxyethyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[2-(4-aminocyclohexyl)oxyethyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[2-(4-aminocyclohexyl)oxyethyl]-2,2-difluoroacetamide is NC1CCC(OCCNC(=O)C(F)F)CC1.
What is the InChIKey of N-[2-(4-aminocyclohexyl)oxyethyl]-2,2-difluoroacetamide?
The InChIKey is YYOHEQOPDFPHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c11-9(12)10(15)14-5-6-16-8-3-1-7(13)2-4-8/h7-9H,1-6,13H2,(H,14,15).
What are the key properties of N-[2-(4-aminocyclohexyl)oxyethyl]-2,2-difluoroacetamide?
N-[2-(4-aminocyclohexyl)oxyethyl]-2,2-difluoroacetamide has a molecular weight of 236.26 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminocyclohexyl)oxyethyl]-2,2-difluoroacetamide is sourced from PubChem (CID 103514165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).