(3-fluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

C17H22FNO3 — CID 91907693

IUPAC(3-fluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESCOC1CCOC2(CCN(C(=O)c3cccc(F)c3)CC2)C1
InChIInChI=1S/C17H22FNO3/c1-21-15-5-10-22-17(12-15)6-8-19(9-7-17)16(20)13-3-2-4-14(18)11-13/h2-4,11,15H,5-10,12H2,1H3
InChIKeyCLTASOGEZYKSNK-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.63
Rot. Bonds2

About (3-fluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

(3-fluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (PubChem CID 91907693) has the molecular formula C17H22FNO3 and a molecular weight of 307.36 g/mol. Its IUPAC name is (3-fluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
PubChem CID91907693
Molecular FormulaC17H22FNO3
Molecular Weight307.36 g/mol
Exact Mass307.16
IUPAC Name(3-fluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESCOC1CCOC2(CCN(C(=O)c3cccc(F)c3)CC2)C1
InChIInChI=1S/C17H22FNO3/c1-21-15-5-10-22-17(12-15)6-8-19(9-7-17)16(20)13-3-2-4-14(18)11-13/h2-4,11,15H,5-10,12H2,1H3
InChIKeyCLTASOGEZYKSNK-UHFFFAOYSA-N
XLogP2.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of (3-fluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (CID 91907693) is (3-fluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for (3-fluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is COC1CCOC2(CCN(C(=O)c3cccc(F)c3)CC2)C1.
What is the InChIKey of (3-fluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is CLTASOGEZYKSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c1-21-15-5-10-22-17(12-15)6-8-19(9-7-17)16(20)13-3-2-4-14(18)11-13/h2-4,11,15H,5-10,12H2,1H3.
What are the key properties of (3-fluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
(3-fluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 307.36 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 91907693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).