9-[(2,2-difluorocyclopentyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane

C13H21F2NO2 — CID 131007514

IUPAC9-[(2,2-difluorocyclopentyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
SMILESFC1(F)CCCC1CN1CCCC2(C1)OCCO2
InChIInChI=1S/C13H21F2NO2/c14-13(15)5-1-3-11(13)9-16-6-2-4-12(10-16)17-7-8-18-12/h11H,1-10H2
InChIKeyKXWDHQGTUKVGOV-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.26
Rot. Bonds2

About 9-[(2,2-difluorocyclopentyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane

9-[(2,2-difluorocyclopentyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane (PubChem CID 131007514) has the molecular formula C13H21F2NO2 and a molecular weight of 261.31 g/mol. Its IUPAC name is 9-[(2,2-difluorocyclopentyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(2,2-difluorocyclopentyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
PubChem CID131007514
Molecular FormulaC13H21F2NO2
Molecular Weight261.31 g/mol
Exact Mass261.15
IUPAC Name9-[(2,2-difluorocyclopentyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
SMILESFC1(F)CCCC1CN1CCCC2(C1)OCCO2
InChIInChI=1S/C13H21F2NO2/c14-13(15)5-1-3-11(13)9-16-6-2-4-12(10-16)17-7-8-18-12/h11H,1-10H2
InChIKeyKXWDHQGTUKVGOV-UHFFFAOYSA-N
XLogP2.26
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[2-(oxolan-3-yl)ethyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 130807357
7-(oxan-4-ylmethyl)-1,4-dioxa-7-azaspiro[4.4]nonane
CID 131142357
3-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)propane-1,2-diol
CID 82851167
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-4-methylcyclohexan-1-ol
CID 75434952
9-[(3,5-difluorophenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 75500696
4-[(2,2-difluorocyclopentyl)methyl]piperazin-2-one
CID 126793831
9-(4-phenylbutyl)-1,4-dioxa-9-azaspiro[4.5]decane
CID 114333662
[1-(cyclopropylmethyl)-3-fluoropiperidin-3-yl]methanol
CID 130666200
(3S)-1-(cyclopropylmethyl)-3-fluoro-3-methylpiperidine
CID 134195634
2-(oxolan-3-ylmethyl)-2,8-diazaspiro[5.5]undecane
CID 102849336
2-(oxan-4-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxylic acid
CID 174215008
5-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)thiophene-3-carboxamide
CID 86785794

Frequently Asked Questions

What is the IUPAC name of 9-[(2,2-difluorocyclopentyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-[(2,2-difluorocyclopentyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane (CID 131007514) is 9-[(2,2-difluorocyclopentyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-[(2,2-difluorocyclopentyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-[(2,2-difluorocyclopentyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane is FC1(F)CCCC1CN1CCCC2(C1)OCCO2.
What is the InChIKey of 9-[(2,2-difluorocyclopentyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane?
The InChIKey is KXWDHQGTUKVGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO2/c14-13(15)5-1-3-11(13)9-16-6-2-4-12(10-16)17-7-8-18-12/h11H,1-10H2.
What are the key properties of 9-[(2,2-difluorocyclopentyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane?
9-[(2,2-difluorocyclopentyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane has a molecular weight of 261.31 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,2-difluorocyclopentyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 131007514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).