(3,3-difluorocyclopentyl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone

C12H17F2NO3 — CID 131008066

IUPAC(3,3-difluorocyclopentyl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone
SMILESO=C(C1CCC(F)(F)C1)N1CCC2(C1)OCCO2
InChIInChI=1S/C12H17F2NO3/c13-11(14)2-1-9(7-11)10(16)15-4-3-12(8-15)17-5-6-18-12/h9H,1-8H2
InChIKeyDNSXDHRSYRWANR-UHFFFAOYSA-N
MW261.27 g/mol
LogP1.40
Rot. Bonds1

About (3,3-difluorocyclopentyl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone

(3,3-difluorocyclopentyl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone (PubChem CID 131008066) has the molecular formula C12H17F2NO3 and a molecular weight of 261.27 g/mol. Its IUPAC name is (3,3-difluorocyclopentyl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone.

Molecular Properties

Compound Name(3,3-difluorocyclopentyl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone
PubChem CID131008066
Molecular FormulaC12H17F2NO3
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Name(3,3-difluorocyclopentyl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone
SMILESO=C(C1CCC(F)(F)C1)N1CCC2(C1)OCCO2
InChIInChI=1S/C12H17F2NO3/c13-11(14)2-1-9(7-11)10(16)15-4-3-12(8-15)17-5-6-18-12/h9H,1-8H2
InChIKeyDNSXDHRSYRWANR-UHFFFAOYSA-N
XLogP1.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 130972053
(3,3-difluorocyclopentyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 114189006
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3,3-difluorocyclopentyl)methanone
CID 114226111
cyclopentyl-[8-(cyclopropanecarbonyl)-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 172884690
(4,4-difluorocyclohexyl)-(9-imino-9-oxo-1-oxa-9λ6-thia-4-azaspiro[5.5]undecan-4-yl)methanone
CID 146114590
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 109145270
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(1-methylpiperidin-3-yl)methanone
CID 110853599
ethyl 1-(3,3-difluorocyclopentanecarbonyl)-4-hydroxypiperidine-4-carboxylate
CID 136539242
1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2,3,3-tetramethylbutan-1-one
CID 131135319
1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-methylbutan-1-one
CID 131218829
2-bromo-1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-methylbutan-1-one
CID 131095930
6-(4,4-difluorocyclohexanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514848

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclopentyl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone?
The IUPAC name of (3,3-difluorocyclopentyl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone (CID 131008066) is (3,3-difluorocyclopentyl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone.
What is the SMILES notation for (3,3-difluorocyclopentyl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone?
The canonical SMILES for (3,3-difluorocyclopentyl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone is O=C(C1CCC(F)(F)C1)N1CCC2(C1)OCCO2.
What is the InChIKey of (3,3-difluorocyclopentyl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone?
The InChIKey is DNSXDHRSYRWANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO3/c13-11(14)2-1-9(7-11)10(16)15-4-3-12(8-15)17-5-6-18-12/h9H,1-8H2.
What are the key properties of (3,3-difluorocyclopentyl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone?
(3,3-difluorocyclopentyl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone has a molecular weight of 261.27 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclopentyl)-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)methanone is sourced from PubChem (CID 131008066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).