[2-(1-fluorocyclopropanecarbonyl)-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-(3-fluorophenyl)methanone

C19H22F2N2O3 — CID 167802269

IUPAC[2-(1-fluorocyclopropanecarbonyl)-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-(3-fluorophenyl)methanone
SMILESCC1(C)CN(C(=O)c2cccc(F)c2)CC2(CN(C(=O)C3(F)CC3)C2)O1
InChIInChI=1S/C19H22F2N2O3/c1-17(2)9-22(15(24)13-4-3-5-14(20)8-13)10-18(26-17)11-23(12-18)16(25)19(21)6-7-19/h3-5,8H,6-7,9-12H2,1-2H3
InChIKeyVTZMFHRFXHEJFZ-UHFFFAOYSA-N
MW364.39 g/mol
LogP2.16
Rot. Bonds2

About [2-(1-fluorocyclopropanecarbonyl)-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-(3-fluorophenyl)methanone

[2-(1-fluorocyclopropanecarbonyl)-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-(3-fluorophenyl)methanone (PubChem CID 167802269) has the molecular formula C19H22F2N2O3 and a molecular weight of 364.39 g/mol. Its IUPAC name is [2-(1-fluorocyclopropanecarbonyl)-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-(1-fluorocyclopropanecarbonyl)-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-(3-fluorophenyl)methanone
PubChem CID167802269
Molecular FormulaC19H22F2N2O3
Molecular Weight364.39 g/mol
Exact Mass364.16
IUPAC Name[2-(1-fluorocyclopropanecarbonyl)-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-(3-fluorophenyl)methanone
SMILESCC1(C)CN(C(=O)c2cccc(F)c2)CC2(CN(C(=O)C3(F)CC3)C2)O1
InChIInChI=1S/C19H22F2N2O3/c1-17(2)9-22(15(24)13-4-3-5-14(20)8-13)10-18(26-17)11-23(12-18)16(25)19(21)6-7-19/h3-5,8H,6-7,9-12H2,1-2H3
InChIKeyVTZMFHRFXHEJFZ-UHFFFAOYSA-N
XLogP2.16
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(1-fluorocyclopropanecarbonyl)-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-(3-fluorophenyl)methanone with MolForge

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Related Compounds

(3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103726936
(3-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778918
(3-fluorophenyl)-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 97412413
1-(3-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162552
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-fluorophenyl)methanone;hydrochloride
CID 119710223
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
N-[4-(3-fluorobenzoyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl]-N-methylacetamide
CID 92548803
(3-fluorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 110721506
(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297
(3-fluorophenyl)-[3-hydroxy-3-(phenoxymethyl)pyrrolidin-1-yl]methanone
CID 132649138
(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-(3-fluorophenyl)methanone
CID 97491866

Frequently Asked Questions

What is the IUPAC name of [2-(1-fluorocyclopropanecarbonyl)-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [2-(1-fluorocyclopropanecarbonyl)-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-(3-fluorophenyl)methanone (CID 167802269) is [2-(1-fluorocyclopropanecarbonyl)-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [2-(1-fluorocyclopropanecarbonyl)-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [2-(1-fluorocyclopropanecarbonyl)-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-(3-fluorophenyl)methanone is CC1(C)CN(C(=O)c2cccc(F)c2)CC2(CN(C(=O)C3(F)CC3)C2)O1.
What is the InChIKey of [2-(1-fluorocyclopropanecarbonyl)-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-(3-fluorophenyl)methanone?
The InChIKey is VTZMFHRFXHEJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3/c1-17(2)9-22(15(24)13-4-3-5-14(20)8-13)10-18(26-17)11-23(12-18)16(25)19(21)6-7-19/h3-5,8H,6-7,9-12H2,1-2H3.
What are the key properties of [2-(1-fluorocyclopropanecarbonyl)-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-(3-fluorophenyl)methanone?
[2-(1-fluorocyclopropanecarbonyl)-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-(3-fluorophenyl)methanone has a molecular weight of 364.39 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-fluorocyclopropanecarbonyl)-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonan-8-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 167802269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).