(2,2-difluorocyclopropyl)-(4-ethylpiperidin-1-yl)methanone

C11H17F2NO — CID 155469673

IUPAC(2,2-difluorocyclopropyl)-(4-ethylpiperidin-1-yl)methanone
SMILESCCC1CCN(C(=O)C2CC2(F)F)CC1
InChIInChI=1S/C11H17F2NO/c1-2-8-3-5-14(6-4-8)10(15)9-7-11(9,12)13/h8-9H,2-7H2,1H3
InChIKeyKQFHRDZJKMTXPM-UHFFFAOYSA-N
MW217.26 g/mol
LogP2.29
Rot. Bonds2

About (2,2-difluorocyclopropyl)-(4-ethylpiperidin-1-yl)methanone

(2,2-difluorocyclopropyl)-(4-ethylpiperidin-1-yl)methanone (PubChem CID 155469673) has the molecular formula C11H17F2NO and a molecular weight of 217.26 g/mol. Its IUPAC name is (2,2-difluorocyclopropyl)-(4-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,2-difluorocyclopropyl)-(4-ethylpiperidin-1-yl)methanone
PubChem CID155469673
Molecular FormulaC11H17F2NO
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name(2,2-difluorocyclopropyl)-(4-ethylpiperidin-1-yl)methanone
SMILESCCC1CCN(C(=O)C2CC2(F)F)CC1
InChIInChI=1S/C11H17F2NO/c1-2-8-3-5-14(6-4-8)10(15)9-7-11(9,12)13/h8-9H,2-7H2,1H3
InChIKeyKQFHRDZJKMTXPM-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluorocyclopropyl)-(4-ethylpiperidin-1-yl)methanone?
The IUPAC name of (2,2-difluorocyclopropyl)-(4-ethylpiperidin-1-yl)methanone (CID 155469673) is (2,2-difluorocyclopropyl)-(4-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,2-difluorocyclopropyl)-(4-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (2,2-difluorocyclopropyl)-(4-ethylpiperidin-1-yl)methanone is CCC1CCN(C(=O)C2CC2(F)F)CC1.
What is the InChIKey of (2,2-difluorocyclopropyl)-(4-ethylpiperidin-1-yl)methanone?
The InChIKey is KQFHRDZJKMTXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO/c1-2-8-3-5-14(6-4-8)10(15)9-7-11(9,12)13/h8-9H,2-7H2,1H3.
What are the key properties of (2,2-difluorocyclopropyl)-(4-ethylpiperidin-1-yl)methanone?
(2,2-difluorocyclopropyl)-(4-ethylpiperidin-1-yl)methanone has a molecular weight of 217.26 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorocyclopropyl)-(4-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 155469673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).