2-(4,4-difluoropiperidin-1-yl)-2-(furan-3-yl)ethanamine

C11H16F2N2O — CID 58228445

IUPAC2-(4,4-difluoropiperidin-1-yl)-2-(furan-3-yl)ethanamine
SMILESNCC(c1ccoc1)N1CCC(F)(F)CC1
InChIInChI=1S/C11H16F2N2O/c12-11(13)2-4-15(5-3-11)10(7-14)9-1-6-16-8-9/h1,6,8,10H,2-5,7,14H2
InChIKeyRHFUHMDUBRVROX-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.01
Rot. Bonds3

About 2-(4,4-difluoropiperidin-1-yl)-2-(furan-3-yl)ethanamine

2-(4,4-difluoropiperidin-1-yl)-2-(furan-3-yl)ethanamine (PubChem CID 58228445) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-2-(furan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-2-(furan-3-yl)ethanamine
PubChem CID58228445
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-2-(furan-3-yl)ethanamine
SMILESNCC(c1ccoc1)N1CCC(F)(F)CC1
InChIInChI=1S/C11H16F2N2O/c12-11(13)2-4-15(5-3-11)10(7-14)9-1-6-16-8-9/h1,6,8,10H,2-5,7,14H2
InChIKeyRHFUHMDUBRVROX-UHFFFAOYSA-N
XLogP2.01
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(furan-3-yl)ethanamine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-2-(furan-3-yl)ethanamine (CID 58228445) is 2-(4,4-difluoropiperidin-1-yl)-2-(furan-3-yl)ethanamine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-2-(furan-3-yl)ethanamine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-2-(furan-3-yl)ethanamine is NCC(c1ccoc1)N1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-2-(furan-3-yl)ethanamine?
The InChIKey is RHFUHMDUBRVROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c12-11(13)2-4-15(5-3-11)10(7-14)9-1-6-16-8-9/h1,6,8,10H,2-5,7,14H2.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-2-(furan-3-yl)ethanamine?
2-(4,4-difluoropiperidin-1-yl)-2-(furan-3-yl)ethanamine has a molecular weight of 230.26 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-2-(furan-3-yl)ethanamine is sourced from PubChem (CID 58228445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).