3,3-difluoro-N-methoxy-N-methylcyclopentane-1-carboxamide

C8H13F2NO2 — CID 53403834

IUPAC3,3-difluoro-N-methoxy-N-methylcyclopentane-1-carboxamide
SMILESCON(C)C(=O)C1CCC(F)(F)C1
InChIInChI=1S/C8H13F2NO2/c1-11(13-2)7(12)6-3-4-8(9,10)5-6/h6H,3-5H2,1-2H3
InChIKeyMTPZPVSHHQGWRQ-UHFFFAOYSA-N
MW193.19 g/mol
LogP1.44
Rot. Bonds2

About 3,3-difluoro-N-methoxy-N-methylcyclopentane-1-carboxamide

3,3-difluoro-N-methoxy-N-methylcyclopentane-1-carboxamide (PubChem CID 53403834) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 3,3-difluoro-N-methoxy-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-methoxy-N-methylcyclopentane-1-carboxamide
PubChem CID53403834
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name3,3-difluoro-N-methoxy-N-methylcyclopentane-1-carboxamide
SMILESCON(C)C(=O)C1CCC(F)(F)C1
InChIInChI=1S/C8H13F2NO2/c1-11(13-2)7(12)6-3-4-8(9,10)5-6/h6H,3-5H2,1-2H3
InChIKeyMTPZPVSHHQGWRQ-UHFFFAOYSA-N
XLogP1.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.44
H-Bond Donors ≤ 50
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-methoxy-N-methylcyclopentanecarboxamide
CID 11147854
4,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide
CID 58421763
N-methoxy-N-methyl-3-(trifluoromethyl)heptanamide
CID 135016110
N-methoxy-N-methyl-3-(trifluoromethyl)nonanamide
CID 135039934
(2S)-6,6,6-trifluoro-5-iodo-N-methoxy-N,2-dimethylhexanamide
CID 59131086
Cyclohexanecarboxamide,N-methoxy-N-methyl-4-(trifluoromethyl)-
CID 81932503
3,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide
CID 87334074
1-fluoro-N-methoxy-N-methylcyclopentanecarboxamide
CID 118342885
(2S)-3-(3,3-difluorocyclobutyl)-N-methoxy-N,2-dimethylpropanamide
CID 122545592
3-fluoro-N-methoxy-N-methylcyclopentane-1-carboxamide
CID 126989045
5,5,5-trifluoro-N-methoxy-N,3-dimethylpentanamide
CID 129050682
6,6-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-3-carboxamide
CID 137407926

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-methoxy-N-methylcyclopentane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-methoxy-N-methylcyclopentane-1-carboxamide (CID 53403834) is 3,3-difluoro-N-methoxy-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-methoxy-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-methoxy-N-methylcyclopentane-1-carboxamide is CON(C)C(=O)C1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-methoxy-N-methylcyclopentane-1-carboxamide?
The InChIKey is MTPZPVSHHQGWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-11(13-2)7(12)6-3-4-8(9,10)5-6/h6H,3-5H2,1-2H3.
What are the key properties of 3,3-difluoro-N-methoxy-N-methylcyclopentane-1-carboxamide?
3,3-difluoro-N-methoxy-N-methylcyclopentane-1-carboxamide has a molecular weight of 193.19 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-methoxy-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 53403834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).