ethane;N-ethyl-3,3-difluoropiperidine-1-carboxamide;molecular hydrogen

C10H22F2N2O — CID 144911993

IUPACethane;N-ethyl-3,3-difluoropiperidine-1-carboxamide;molecular hydrogen
SMILESCC.CCNC(=O)N1CCCC(F)(F)C1.[H][H]
InChIInChI=1S/C8H14F2N2O.C2H6.H2/c1-2-11-7(13)12-5-3-4-8(9,10)6-12;1-2;/h2-6H2,1H3,(H,11,13);1-2H3;1H
InChIKeyOPWUMTJFNMKCKY-UHFFFAOYSA-N
MW224.29 g/mol
LogP2.72
Rot. Bonds1

About ethane;N-ethyl-3,3-difluoropiperidine-1-carboxamide;molecular hydrogen

ethane;N-ethyl-3,3-difluoropiperidine-1-carboxamide;molecular hydrogen (PubChem CID 144911993) has the molecular formula C10H22F2N2O and a molecular weight of 224.29 g/mol. Its IUPAC name is ethane;N-ethyl-3,3-difluoropiperidine-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-ethyl-3,3-difluoropiperidine-1-carboxamide;molecular hydrogen
PubChem CID144911993
Molecular FormulaC10H22F2N2O
Molecular Weight224.29 g/mol
Exact Mass224.17
IUPAC Nameethane;N-ethyl-3,3-difluoropiperidine-1-carboxamide;molecular hydrogen
SMILESCC.CCNC(=O)N1CCCC(F)(F)C1.[H][H]
InChIInChI=1S/C8H14F2N2O.C2H6.H2/c1-2-11-7(13)12-5-3-4-8(9,10)6-12;1-2;/h2-6H2,1H3,(H,11,13);1-2H3;1H
InChIKeyOPWUMTJFNMKCKY-UHFFFAOYSA-N
XLogP2.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-3,3-difluoropiperidine-1-carboxamide;molecular hydrogen?
The IUPAC name of ethane;N-ethyl-3,3-difluoropiperidine-1-carboxamide;molecular hydrogen (CID 144911993) is ethane;N-ethyl-3,3-difluoropiperidine-1-carboxamide;molecular hydrogen.
What is the SMILES notation for ethane;N-ethyl-3,3-difluoropiperidine-1-carboxamide;molecular hydrogen?
The canonical SMILES for ethane;N-ethyl-3,3-difluoropiperidine-1-carboxamide;molecular hydrogen is CC.CCNC(=O)N1CCCC(F)(F)C1.[H][H].
What is the InChIKey of ethane;N-ethyl-3,3-difluoropiperidine-1-carboxamide;molecular hydrogen?
The InChIKey is OPWUMTJFNMKCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O.C2H6.H2/c1-2-11-7(13)12-5-3-4-8(9,10)6-12;1-2;/h2-6H2,1H3,(H,11,13);1-2H3;1H.
What are the key properties of ethane;N-ethyl-3,3-difluoropiperidine-1-carboxamide;molecular hydrogen?
ethane;N-ethyl-3,3-difluoropiperidine-1-carboxamide;molecular hydrogen has a molecular weight of 224.29 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-3,3-difluoropiperidine-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 144911993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).