(2,2-difluorocyclopropyl)-(9-propan-2-yl-6-oxa-1,9-diazaspiro[4.5]decan-1-yl)methanone

C14H22F2N2O2 — CID 170572182

IUPAC(2,2-difluorocyclopropyl)-(9-propan-2-yl-6-oxa-1,9-diazaspiro[4.5]decan-1-yl)methanone
SMILESCC(C)N1CCOC2(CCCN2C(=O)C2CC2(F)F)C1
InChIInChI=1S/C14H22F2N2O2/c1-10(2)17-6-7-20-13(9-17)4-3-5-18(13)12(19)11-8-14(11,15)16/h10-11H,3-9H2,1-2H3
InChIKeyAFESOXBVKZZMET-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.70
Rot. Bonds2

About (2,2-difluorocyclopropyl)-(9-propan-2-yl-6-oxa-1,9-diazaspiro[4.5]decan-1-yl)methanone

(2,2-difluorocyclopropyl)-(9-propan-2-yl-6-oxa-1,9-diazaspiro[4.5]decan-1-yl)methanone (PubChem CID 170572182) has the molecular formula C14H22F2N2O2 and a molecular weight of 288.34 g/mol. Its IUPAC name is (2,2-difluorocyclopropyl)-(9-propan-2-yl-6-oxa-1,9-diazaspiro[4.5]decan-1-yl)methanone.

Molecular Properties

Compound Name(2,2-difluorocyclopropyl)-(9-propan-2-yl-6-oxa-1,9-diazaspiro[4.5]decan-1-yl)methanone
PubChem CID170572182
Molecular FormulaC14H22F2N2O2
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name(2,2-difluorocyclopropyl)-(9-propan-2-yl-6-oxa-1,9-diazaspiro[4.5]decan-1-yl)methanone
SMILESCC(C)N1CCOC2(CCCN2C(=O)C2CC2(F)F)C1
InChIInChI=1S/C14H22F2N2O2/c1-10(2)17-6-7-20-13(9-17)4-3-5-18(13)12(19)11-8-14(11,15)16/h10-11H,3-9H2,1-2H3
InChIKeyAFESOXBVKZZMET-UHFFFAOYSA-N
XLogP1.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluorocyclopropyl)-(9-propan-2-yl-6-oxa-1,9-diazaspiro[4.5]decan-1-yl)methanone?
The IUPAC name of (2,2-difluorocyclopropyl)-(9-propan-2-yl-6-oxa-1,9-diazaspiro[4.5]decan-1-yl)methanone (CID 170572182) is (2,2-difluorocyclopropyl)-(9-propan-2-yl-6-oxa-1,9-diazaspiro[4.5]decan-1-yl)methanone.
What is the SMILES notation for (2,2-difluorocyclopropyl)-(9-propan-2-yl-6-oxa-1,9-diazaspiro[4.5]decan-1-yl)methanone?
The canonical SMILES for (2,2-difluorocyclopropyl)-(9-propan-2-yl-6-oxa-1,9-diazaspiro[4.5]decan-1-yl)methanone is CC(C)N1CCOC2(CCCN2C(=O)C2CC2(F)F)C1.
What is the InChIKey of (2,2-difluorocyclopropyl)-(9-propan-2-yl-6-oxa-1,9-diazaspiro[4.5]decan-1-yl)methanone?
The InChIKey is AFESOXBVKZZMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O2/c1-10(2)17-6-7-20-13(9-17)4-3-5-18(13)12(19)11-8-14(11,15)16/h10-11H,3-9H2,1-2H3.
What are the key properties of (2,2-difluorocyclopropyl)-(9-propan-2-yl-6-oxa-1,9-diazaspiro[4.5]decan-1-yl)methanone?
(2,2-difluorocyclopropyl)-(9-propan-2-yl-6-oxa-1,9-diazaspiro[4.5]decan-1-yl)methanone has a molecular weight of 288.34 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorocyclopropyl)-(9-propan-2-yl-6-oxa-1,9-diazaspiro[4.5]decan-1-yl)methanone is sourced from PubChem (CID 170572182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).