2-[4-(2,2-difluoroethoxy)piperidin-1-yl]ethanamine

C9H18F2N2O — CID 155858597

IUPAC2-[4-(2,2-difluoroethoxy)piperidin-1-yl]ethanamine
SMILESNCCN1CCC(OCC(F)F)CC1
InChIInChI=1S/C9H18F2N2O/c10-9(11)7-14-8-1-4-13(5-2-8)6-3-12/h8-9H,1-7,12H2
InChIKeyCOFLDBLICUPPMS-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.69
Rot. Bonds5

About 2-[4-(2,2-difluoroethoxy)piperidin-1-yl]ethanamine

2-[4-(2,2-difluoroethoxy)piperidin-1-yl]ethanamine (PubChem CID 155858597) has the molecular formula C9H18F2N2O and a molecular weight of 208.25 g/mol. Its IUPAC name is 2-[4-(2,2-difluoroethoxy)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2,2-difluoroethoxy)piperidin-1-yl]ethanamine
PubChem CID155858597
Molecular FormulaC9H18F2N2O
Molecular Weight208.25 g/mol
Exact Mass208.14
IUPAC Name2-[4-(2,2-difluoroethoxy)piperidin-1-yl]ethanamine
SMILESNCCN1CCC(OCC(F)F)CC1
InChIInChI=1S/C9H18F2N2O/c10-9(11)7-14-8-1-4-13(5-2-8)6-3-12/h8-9H,1-7,12H2
InChIKeyCOFLDBLICUPPMS-UHFFFAOYSA-N
XLogP0.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-difluoroethoxy)piperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-(2,2-difluoroethoxy)piperidin-1-yl]ethanamine (CID 155858597) is 2-[4-(2,2-difluoroethoxy)piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(2,2-difluoroethoxy)piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(2,2-difluoroethoxy)piperidin-1-yl]ethanamine is NCCN1CCC(OCC(F)F)CC1.
What is the InChIKey of 2-[4-(2,2-difluoroethoxy)piperidin-1-yl]ethanamine?
The InChIKey is COFLDBLICUPPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O/c10-9(11)7-14-8-1-4-13(5-2-8)6-3-12/h8-9H,1-7,12H2.
What are the key properties of 2-[4-(2,2-difluoroethoxy)piperidin-1-yl]ethanamine?
2-[4-(2,2-difluoroethoxy)piperidin-1-yl]ethanamine has a molecular weight of 208.25 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-difluoroethoxy)piperidin-1-yl]ethanamine is sourced from PubChem (CID 155858597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).