(5-fluoro-2-methylphenyl)-(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone

C16H20FNO2 — CID 86771080

IUPAC(5-fluoro-2-methylphenyl)-(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone
SMILESCc1ccc(F)cc1C(=O)N1CCOCC12CCCC2
InChIInChI=1S/C16H20FNO2/c1-12-4-5-13(17)10-14(12)15(19)18-8-9-20-11-16(18)6-2-3-7-16/h4-5,10H,2-3,6-9,11H2,1H3
InChIKeyKQZZRALNUOUWIN-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.92
Rot. Bonds1

About (5-fluoro-2-methylphenyl)-(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone

(5-fluoro-2-methylphenyl)-(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone (PubChem CID 86771080) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone
PubChem CID86771080
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name(5-fluoro-2-methylphenyl)-(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone
SMILESCc1ccc(F)cc1C(=O)N1CCOCC12CCCC2
InChIInChI=1S/C16H20FNO2/c1-12-4-5-13(17)10-14(12)15(19)18-8-9-20-11-16(18)6-2-3-7-16/h4-5,10H,2-3,6-9,11H2,1H3
InChIKeyKQZZRALNUOUWIN-UHFFFAOYSA-N
XLogP2.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-fluoro-2-methylphenyl)methanone
CID 38377681
[(3S,4R)-3,4-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-fluoro-2-methylphenyl)methanone
CID 163316302
(1-aminocyclopentyl)-(5-fluoro-2-methylphenyl)methanone
CID 116558686
3-fluoro-N-[2-(9-oxa-6-azaspiro[4.5]decan-6-yl)-2-oxoethyl]benzamide
CID 75519811
(2,2-dimethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone
CID 112702642
[2-(bromomethyl)pyrrolidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 80677688
(5-fluoro-2-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 114970598
(1-aminocyclobutyl)-(5-fluoro-2-methylphenyl)methanone
CID 116598341
1,4-diazaspiro[5.5]undecan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
CID 107015923
(4-fluoro-2-methylphenyl)-(1,3-oxazolidin-3-yl)methanone
CID 130766014
(3,3-dimethylmorpholin-4-yl)-(4-hydroxy-2-methylphenyl)methanone
CID 103865329
(2,5-difluoro-3-nitrophenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 107121968

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)-(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone?
The IUPAC name of (5-fluoro-2-methylphenyl)-(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone (CID 86771080) is (5-fluoro-2-methylphenyl)-(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone?
The canonical SMILES for (5-fluoro-2-methylphenyl)-(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone is Cc1ccc(F)cc1C(=O)N1CCOCC12CCCC2.
What is the InChIKey of (5-fluoro-2-methylphenyl)-(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone?
The InChIKey is KQZZRALNUOUWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-12-4-5-13(17)10-14(12)15(19)18-8-9-20-11-16(18)6-2-3-7-16/h4-5,10H,2-3,6-9,11H2,1H3.
What are the key properties of (5-fluoro-2-methylphenyl)-(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone?
(5-fluoro-2-methylphenyl)-(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone has a molecular weight of 277.34 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl)-(9-oxa-6-azaspiro[4.5]decan-6-yl)methanone is sourced from PubChem (CID 86771080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).