3-(difluoromethyl)-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide

C9H13F2NO2 — CID 151042756

IUPAC3-(difluoromethyl)-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide
SMILESCON(C)C(=O)C12CC(C(F)F)(C1)C2
InChIInChI=1S/C9H13F2NO2/c1-12(14-2)7(13)9-3-8(4-9,5-9)6(10)11/h6H,3-5H2,1-2H3
InChIKeyMCKXHUIDAIEJKN-UHFFFAOYSA-N
MW205.20 g/mol
LogP1.44
Rot. Bonds3

About 3-(difluoromethyl)-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide

3-(difluoromethyl)-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 151042756) has the molecular formula C9H13F2NO2 and a molecular weight of 205.20 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide
PubChem CID151042756
Molecular FormulaC9H13F2NO2
Molecular Weight205.20 g/mol
Exact Mass205.09
IUPAC Name3-(difluoromethyl)-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide
SMILESCON(C)C(=O)C12CC(C(F)F)(C1)C2
InChIInChI=1S/C9H13F2NO2/c1-12(14-2)7(13)9-3-8(4-9,5-9)6(10)11/h6H,3-5H2,1-2H3
InChIKeyMCKXHUIDAIEJKN-UHFFFAOYSA-N
XLogP1.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
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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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of 3-(difluoromethyl)-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide (CID 151042756) is 3-(difluoromethyl)-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide is CON(C)C(=O)C12CC(C(F)F)(C1)C2.
What is the InChIKey of 3-(difluoromethyl)-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is MCKXHUIDAIEJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO2/c1-12(14-2)7(13)9-3-8(4-9,5-9)6(10)11/h6H,3-5H2,1-2H3.
What are the key properties of 3-(difluoromethyl)-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide?
3-(difluoromethyl)-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 205.20 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-methoxy-N-methylbicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 151042756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).