(2S)-3-(3,3-difluorocyclobutyl)-N-methoxy-N,2-dimethylpropanamide

C10H17F2NO2 — CID 122545592

IUPAC(2S)-3-(3,3-difluorocyclobutyl)-N-methoxy-N,2-dimethylpropanamide
SMILESCON(C)C(=O)[C@@H](C)CC1CC(F)(F)C1
InChIInChI=1S/C10H17F2NO2/c1-7(9(14)13(2)15-3)4-8-5-10(11,12)6-8/h7-8H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyRQABLDXBISGVCG-ZETCQYMHSA-N
MW221.25 g/mol
LogP2.08
Rot. Bonds4

About (2S)-3-(3,3-difluorocyclobutyl)-N-methoxy-N,2-dimethylpropanamide

(2S)-3-(3,3-difluorocyclobutyl)-N-methoxy-N,2-dimethylpropanamide (PubChem CID 122545592) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is (2S)-3-(3,3-difluorocyclobutyl)-N-methoxy-N,2-dimethylpropanamide.

Molecular Properties

Compound Name(2S)-3-(3,3-difluorocyclobutyl)-N-methoxy-N,2-dimethylpropanamide
PubChem CID122545592
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name(2S)-3-(3,3-difluorocyclobutyl)-N-methoxy-N,2-dimethylpropanamide
SMILESCON(C)C(=O)[C@@H](C)CC1CC(F)(F)C1
InChIInChI=1S/C10H17F2NO2/c1-7(9(14)13(2)15-3)4-8-5-10(11,12)6-8/h7-8H,4-6H2,1-3H3/t7-/m0/s1
InChIKeyRQABLDXBISGVCG-ZETCQYMHSA-N
XLogP2.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-3-(3,3-difluorocyclobutyl)-N-methoxy-N,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide
CID 58421763
(1S,2S,3R)-2-fluoro-N-methoxy-N-methyl-3-propylcyclopropane-1-carboxamide
CID 134861230
N-methoxy-N-methyl-3-(trifluoromethyl)heptanamide
CID 135016110
N-methoxy-N-methyl-3-(trifluoromethyl)nonanamide
CID 135039934
3,3-difluoro-N-methoxy-N-methylcyclopentane-1-carboxamide
CID 53403834
Cyclohexanecarboxamide,N-methoxy-N-methyl-4-(trifluoromethyl)-
CID 81932503
3,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide
CID 87334074
2,2-difluoro-N-methoxy-N-methylspiro[2.3]hexane-5-carboxamide
CID 137408256
4,4-difluoro-N-methoxy-N,2-dimethylcyclopentane-1-carboxamide
CID 137412512
2-(3,3-difluorocyclobutyl)-N-methoxy-N-methylacetamide
CID 140191462
1-fluoro-N-methoxy-N-methyl-2-propylcyclopropane-1-carboxamide
CID 141371496
2-(4,4-Difluorocyclohexyl)-N-methoxy-N-methylacetamide
CID 141710014

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3,3-difluorocyclobutyl)-N-methoxy-N,2-dimethylpropanamide?
The IUPAC name of (2S)-3-(3,3-difluorocyclobutyl)-N-methoxy-N,2-dimethylpropanamide (CID 122545592) is (2S)-3-(3,3-difluorocyclobutyl)-N-methoxy-N,2-dimethylpropanamide.
What is the SMILES notation for (2S)-3-(3,3-difluorocyclobutyl)-N-methoxy-N,2-dimethylpropanamide?
The canonical SMILES for (2S)-3-(3,3-difluorocyclobutyl)-N-methoxy-N,2-dimethylpropanamide is CON(C)C(=O)[C@@H](C)CC1CC(F)(F)C1.
What is the InChIKey of (2S)-3-(3,3-difluorocyclobutyl)-N-methoxy-N,2-dimethylpropanamide?
The InChIKey is RQABLDXBISGVCG-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-7(9(14)13(2)15-3)4-8-5-10(11,12)6-8/h7-8H,4-6H2,1-3H3/t7-/m0/s1.
What are the key properties of (2S)-3-(3,3-difluorocyclobutyl)-N-methoxy-N,2-dimethylpropanamide?
(2S)-3-(3,3-difluorocyclobutyl)-N-methoxy-N,2-dimethylpropanamide has a molecular weight of 221.25 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3,3-difluorocyclobutyl)-N-methoxy-N,2-dimethylpropanamide is sourced from PubChem (CID 122545592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).