[8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3,4-difluorophenyl)methanone

C21H26F4N2O3 — CID 172884467

IUPAC[8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCOC2(C1)CN(C1CCC(F)(F)CC1)CCCO2
InChIInChI=1S/C21H26F4N2O3/c22-17-3-2-15(12-18(17)23)19(28)27-9-11-30-21(14-27)13-26(8-1-10-29-21)16-4-6-20(24,25)7-5-16/h2-3,12,16H,1,4-11,13-14H2
InChIKeyZAUAAZNYFKADND-UHFFFAOYSA-N
MW430.44 g/mol
LogP3.43
Rot. Bonds2

About [8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3,4-difluorophenyl)methanone

[8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3,4-difluorophenyl)methanone (PubChem CID 172884467) has the molecular formula C21H26F4N2O3 and a molecular weight of 430.44 g/mol. Its IUPAC name is [8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3,4-difluorophenyl)methanone
PubChem CID172884467
Molecular FormulaC21H26F4N2O3
Molecular Weight430.44 g/mol
Exact Mass430.19
IUPAC Name[8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3,4-difluorophenyl)methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCOC2(C1)CN(C1CCC(F)(F)CC1)CCCO2
InChIInChI=1S/C21H26F4N2O3/c22-17-3-2-15(12-18(17)23)19(28)27-9-11-30-21(14-27)13-26(8-1-10-29-21)16-4-6-20(24,25)7-5-16/h2-3,12,16H,1,4-11,13-14H2
InChIKeyZAUAAZNYFKADND-UHFFFAOYSA-N
XLogP3.43
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3,4-difluorophenyl)methanone with MolForge

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Related Compounds

[8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-pyridin-3-ylmethanone
CID 172884464
[1-(3,4-difluorobenzoyl)azetidin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 52907494
cyclopentyl-(8-cyclopentyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone
CID 172884698
N-(3,4-difluorophenyl)-4-(2-fluorobenzoyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide
CID 172884644
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,4-difluorophenyl)methanone;hydrochloride
CID 120814455
(3,4-difluorophenyl)-[(3R,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97419415
(3,4-difluorophenyl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 119102318
(3,4-difluorophenyl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124759582
[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3,4-difluorophenyl)methanone
CID 97419710
4-(3,4-difluorobenzoyl)morpholine-2-carbonitrile
CID 78945954
[(3R)-3-aminopyrrolidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 119412532

Frequently Asked Questions

What is the IUPAC name of [8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3,4-difluorophenyl)methanone?
The IUPAC name of [8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3,4-difluorophenyl)methanone (CID 172884467) is [8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3,4-difluorophenyl)methanone.
What is the SMILES notation for [8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3,4-difluorophenyl)methanone?
The canonical SMILES for [8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3,4-difluorophenyl)methanone is O=C(c1ccc(F)c(F)c1)N1CCOC2(C1)CN(C1CCC(F)(F)CC1)CCCO2.
What is the InChIKey of [8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3,4-difluorophenyl)methanone?
The InChIKey is ZAUAAZNYFKADND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F4N2O3/c22-17-3-2-15(12-18(17)23)19(28)27-9-11-30-21(14-27)13-26(8-1-10-29-21)16-4-6-20(24,25)7-5-16/h2-3,12,16H,1,4-11,13-14H2.
What are the key properties of [8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3,4-difluorophenyl)methanone?
[8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3,4-difluorophenyl)methanone has a molecular weight of 430.44 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(4,4-difluorocyclohexyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3,4-difluorophenyl)methanone is sourced from PubChem (CID 172884467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).