4,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide;methyl hypochlorite

C10H18ClF2NO3 — CID 167449792

IUPAC4,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide;methyl hypochlorite
SMILESCOCl.CON(C)C(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C9H15F2NO2.CH3ClO/c1-12(14-2)8(13)7-3-5-9(10,11)6-4-7;1-3-2/h7H,3-6H2,1-2H3;1H3
InChIKeyZLFOAVYMZUMHFJ-UHFFFAOYSA-N
MW273.71 g/mol
LogP2.62
Rot. Bonds2

About 4,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide;methyl hypochlorite

4,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide;methyl hypochlorite (PubChem CID 167449792) has the molecular formula C10H18ClF2NO3 and a molecular weight of 273.71 g/mol. Its IUPAC name is 4,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide;methyl hypochlorite.

Molecular Properties

Compound Name4,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide;methyl hypochlorite
PubChem CID167449792
Molecular FormulaC10H18ClF2NO3
Molecular Weight273.71 g/mol
Exact Mass273.09
IUPAC Name4,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide;methyl hypochlorite
SMILESCOCl.CON(C)C(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C9H15F2NO2.CH3ClO/c1-12(14-2)8(13)7-3-5-9(10,11)6-4-7;1-3-2/h7H,3-6H2,1-2H3;1H3
InChIKeyZLFOAVYMZUMHFJ-UHFFFAOYSA-N
XLogP2.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.71
LogP ≤ 52.62
H-Bond Donors ≤ 50
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 4,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide;methyl hypochlorite?
The IUPAC name of 4,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide;methyl hypochlorite (CID 167449792) is 4,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide;methyl hypochlorite.
What is the SMILES notation for 4,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide;methyl hypochlorite?
The canonical SMILES for 4,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide;methyl hypochlorite is COCl.CON(C)C(=O)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide;methyl hypochlorite?
The InChIKey is ZLFOAVYMZUMHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2.CH3ClO/c1-12(14-2)8(13)7-3-5-9(10,11)6-4-7;1-3-2/h7H,3-6H2,1-2H3;1H3.
What are the key properties of 4,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide;methyl hypochlorite?
4,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide;methyl hypochlorite has a molecular weight of 273.71 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide;methyl hypochlorite is sourced from PubChem (CID 167449792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).