(4,4-difluoropiperidin-1-yl)-(oxan-4-yl)methanone

C11H17F2NO2 — CID 121184589

IUPAC(4,4-difluoropiperidin-1-yl)-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCC(F)(F)CC1
InChIInChI=1S/C11H17F2NO2/c12-11(13)3-5-14(6-4-11)10(15)9-1-7-16-8-2-9/h9H,1-8H2
InChIKeyKOOQIJQDFQCVRT-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.67
Rot. Bonds1

About (4,4-difluoropiperidin-1-yl)-(oxan-4-yl)methanone

(4,4-difluoropiperidin-1-yl)-(oxan-4-yl)methanone (PubChem CID 121184589) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-(oxan-4-yl)methanone
PubChem CID121184589
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC Name(4,4-difluoropiperidin-1-yl)-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCC(F)(F)CC1
InChIInChI=1S/C11H17F2NO2/c12-11(13)3-5-14(6-4-11)10(15)9-1-7-16-8-2-9/h9H,1-8H2
InChIKeyKOOQIJQDFQCVRT-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-(oxan-4-yl)methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-(oxan-4-yl)methanone (CID 121184589) is (4,4-difluoropiperidin-1-yl)-(oxan-4-yl)methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-(oxan-4-yl)methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-(oxan-4-yl)methanone is O=C(C1CCOCC1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-(oxan-4-yl)methanone?
The InChIKey is KOOQIJQDFQCVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO2/c12-11(13)3-5-14(6-4-11)10(15)9-1-7-16-8-2-9/h9H,1-8H2.
What are the key properties of (4,4-difluoropiperidin-1-yl)-(oxan-4-yl)methanone?
(4,4-difluoropiperidin-1-yl)-(oxan-4-yl)methanone has a molecular weight of 233.26 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-(oxan-4-yl)methanone is sourced from PubChem (CID 121184589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).