3,3-difluoro-N-methylpiperidine-1-carboxamide;ethane;molecular hydrogen

C9H20F2N2O — CID 144912024

IUPAC3,3-difluoro-N-methylpiperidine-1-carboxamide;ethane;molecular hydrogen
SMILESCC.CNC(=O)N1CCCC(F)(F)C1.[H][H]
InChIInChI=1S/C7H12F2N2O.C2H6.H2/c1-10-6(12)11-4-2-3-7(8,9)5-11;1-2;/h2-5H2,1H3,(H,10,12);1-2H3;1H
InChIKeyYWKWQSMECXVESO-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.33
Rot. Bonds

About 3,3-difluoro-N-methylpiperidine-1-carboxamide;ethane;molecular hydrogen

3,3-difluoro-N-methylpiperidine-1-carboxamide;ethane;molecular hydrogen (PubChem CID 144912024) has the molecular formula C9H20F2N2O and a molecular weight of 210.27 g/mol. Its IUPAC name is 3,3-difluoro-N-methylpiperidine-1-carboxamide;ethane;molecular hydrogen.

Molecular Properties

Compound Name3,3-difluoro-N-methylpiperidine-1-carboxamide;ethane;molecular hydrogen
PubChem CID144912024
Molecular FormulaC9H20F2N2O
Molecular Weight210.27 g/mol
Exact Mass210.15
IUPAC Name3,3-difluoro-N-methylpiperidine-1-carboxamide;ethane;molecular hydrogen
SMILESCC.CNC(=O)N1CCCC(F)(F)C1.[H][H]
InChIInChI=1S/C7H12F2N2O.C2H6.H2/c1-10-6(12)11-4-2-3-7(8,9)5-11;1-2;/h2-5H2,1H3,(H,10,12);1-2H3;1H
InChIKeyYWKWQSMECXVESO-UHFFFAOYSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-methylpiperidine-1-carboxamide;ethane;molecular hydrogen?
The IUPAC name of 3,3-difluoro-N-methylpiperidine-1-carboxamide;ethane;molecular hydrogen (CID 144912024) is 3,3-difluoro-N-methylpiperidine-1-carboxamide;ethane;molecular hydrogen.
What is the SMILES notation for 3,3-difluoro-N-methylpiperidine-1-carboxamide;ethane;molecular hydrogen?
The canonical SMILES for 3,3-difluoro-N-methylpiperidine-1-carboxamide;ethane;molecular hydrogen is CC.CNC(=O)N1CCCC(F)(F)C1.[H][H].
What is the InChIKey of 3,3-difluoro-N-methylpiperidine-1-carboxamide;ethane;molecular hydrogen?
The InChIKey is YWKWQSMECXVESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O.C2H6.H2/c1-10-6(12)11-4-2-3-7(8,9)5-11;1-2;/h2-5H2,1H3,(H,10,12);1-2H3;1H.
What are the key properties of 3,3-difluoro-N-methylpiperidine-1-carboxamide;ethane;molecular hydrogen?
3,3-difluoro-N-methylpiperidine-1-carboxamide;ethane;molecular hydrogen has a molecular weight of 210.27 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-methylpiperidine-1-carboxamide;ethane;molecular hydrogen is sourced from PubChem (CID 144912024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).