cyclopentyl-[8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone

C20H32F2N2O3 — CID 172884476

IUPACcyclopentyl-[8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
SMILESO=C(C1CCCC1)N1CCOC2(C1)CN(C1CCC(F)(F)CC1)CCCO2
InChIInChI=1S/C20H32F2N2O3/c21-19(22)8-6-17(7-9-19)23-10-3-12-26-20(14-23)15-24(11-13-27-20)18(25)16-4-1-2-5-16/h16-17H,1-15H2
InChIKeyJXSHLHYVOMTUAQ-UHFFFAOYSA-N
MW386.48 g/mol
LogP3.03
Rot. Bonds2

About cyclopentyl-[8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone

cyclopentyl-[8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone (PubChem CID 172884476) has the molecular formula C20H32F2N2O3 and a molecular weight of 386.48 g/mol. Its IUPAC name is cyclopentyl-[8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
PubChem CID172884476
Molecular FormulaC20H32F2N2O3
Molecular Weight386.48 g/mol
Exact Mass386.24
IUPAC Namecyclopentyl-[8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
SMILESO=C(C1CCCC1)N1CCOC2(C1)CN(C1CCC(F)(F)CC1)CCCO2
InChIInChI=1S/C20H32F2N2O3/c21-19(22)8-6-17(7-9-19)23-10-3-12-26-20(14-23)15-24(11-13-27-20)18(25)16-4-1-2-5-16/h16-17H,1-15H2
InChIKeyJXSHLHYVOMTUAQ-UHFFFAOYSA-N
XLogP3.03
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
The IUPAC name of cyclopentyl-[8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone (CID 172884476) is cyclopentyl-[8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone.
What is the SMILES notation for cyclopentyl-[8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
The canonical SMILES for cyclopentyl-[8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone is O=C(C1CCCC1)N1CCOC2(C1)CN(C1CCC(F)(F)CC1)CCCO2.
What is the InChIKey of cyclopentyl-[8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
The InChIKey is JXSHLHYVOMTUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32F2N2O3/c21-19(22)8-6-17(7-9-19)23-10-3-12-26-20(14-23)15-24(11-13-27-20)18(25)16-4-1-2-5-16/h16-17H,1-15H2.
What are the key properties of cyclopentyl-[8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone?
cyclopentyl-[8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone has a molecular weight of 386.48 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone is sourced from PubChem (CID 172884476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).