(1R)-3,3-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide

C9H15F2NO2 — CID 171777645

IUPAC(1R)-3,3-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide
SMILESCON(C)C(=O)[C@@H]1CCCC(F)(F)C1
InChIInChI=1S/C9H15F2NO2/c1-12(14-2)8(13)7-4-3-5-9(10,11)6-7/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyMWMIBLXGOKNERI-SSDOTTSWSA-N
MW207.22 g/mol
LogP1.83
Rot. Bonds2

About (1R)-3,3-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide

(1R)-3,3-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide (PubChem CID 171777645) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is (1R)-3,3-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R)-3,3-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide
PubChem CID171777645
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name(1R)-3,3-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide
SMILESCON(C)C(=O)[C@@H]1CCCC(F)(F)C1
InChIInChI=1S/C9H15F2NO2/c1-12(14-2)8(13)7-4-3-5-9(10,11)6-7/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyMWMIBLXGOKNERI-SSDOTTSWSA-N
XLogP1.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.83
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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Frequently Asked Questions

What is the IUPAC name of (1R)-3,3-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide?
The IUPAC name of (1R)-3,3-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide (CID 171777645) is (1R)-3,3-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for (1R)-3,3-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for (1R)-3,3-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide is CON(C)C(=O)[C@@H]1CCCC(F)(F)C1.
What is the InChIKey of (1R)-3,3-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide?
The InChIKey is MWMIBLXGOKNERI-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-12(14-2)8(13)7-4-3-5-9(10,11)6-7/h7H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of (1R)-3,3-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide?
(1R)-3,3-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide has a molecular weight of 207.22 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 171777645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).