(2-piperidin-1-ylcyclohexyl) 2,2-difluoropropanoate

C14H23F2NO2 — CID 58341557

IUPAC(2-piperidin-1-ylcyclohexyl) 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OC1CCCCC1N1CCCCC1
InChIInChI=1S/C14H23F2NO2/c1-14(15,16)13(18)19-12-8-4-3-7-11(12)17-9-5-2-6-10-17/h11-12H,2-10H2,1H3
InChIKeyJWEWWBDOXRQNDJ-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.98
Rot. Bonds3

About (2-piperidin-1-ylcyclohexyl) 2,2-difluoropropanoate

(2-piperidin-1-ylcyclohexyl) 2,2-difluoropropanoate (PubChem CID 58341557) has the molecular formula C14H23F2NO2 and a molecular weight of 275.34 g/mol. Its IUPAC name is (2-piperidin-1-ylcyclohexyl) 2,2-difluoropropanoate.

Molecular Properties

Compound Name(2-piperidin-1-ylcyclohexyl) 2,2-difluoropropanoate
PubChem CID58341557
Molecular FormulaC14H23F2NO2
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC Name(2-piperidin-1-ylcyclohexyl) 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OC1CCCCC1N1CCCCC1
InChIInChI=1S/C14H23F2NO2/c1-14(15,16)13(18)19-12-8-4-3-7-11(12)17-9-5-2-6-10-17/h11-12H,2-10H2,1H3
InChIKeyJWEWWBDOXRQNDJ-UHFFFAOYSA-N
XLogP2.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-piperidin-1-ylcyclohexyl) 2,2-difluoropropanoate?
The IUPAC name of (2-piperidin-1-ylcyclohexyl) 2,2-difluoropropanoate (CID 58341557) is (2-piperidin-1-ylcyclohexyl) 2,2-difluoropropanoate.
What is the SMILES notation for (2-piperidin-1-ylcyclohexyl) 2,2-difluoropropanoate?
The canonical SMILES for (2-piperidin-1-ylcyclohexyl) 2,2-difluoropropanoate is CC(F)(F)C(=O)OC1CCCCC1N1CCCCC1.
What is the InChIKey of (2-piperidin-1-ylcyclohexyl) 2,2-difluoropropanoate?
The InChIKey is JWEWWBDOXRQNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO2/c1-14(15,16)13(18)19-12-8-4-3-7-11(12)17-9-5-2-6-10-17/h11-12H,2-10H2,1H3.
What are the key properties of (2-piperidin-1-ylcyclohexyl) 2,2-difluoropropanoate?
(2-piperidin-1-ylcyclohexyl) 2,2-difluoropropanoate has a molecular weight of 275.34 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-piperidin-1-ylcyclohexyl) 2,2-difluoropropanoate is sourced from PubChem (CID 58341557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).