8-(2-fluoroethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

C12H21FN2O — CID 178104192

IUPAC8-(2-fluoroethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESCC(C)C1=NOC2(CCN(CCF)CC2)C1
InChIInChI=1S/C12H21FN2O/c1-10(2)11-9-12(16-14-11)3-6-15(7-4-12)8-5-13/h10H,3-9H2,1-2H3
InChIKeyBRYFKVHLMKTQLX-UHFFFAOYSA-N
MW228.31 g/mol
LogP2.22
Rot. Bonds3

About 8-(2-fluoroethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

8-(2-fluoroethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 178104192) has the molecular formula C12H21FN2O and a molecular weight of 228.31 g/mol. Its IUPAC name is 8-(2-fluoroethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name8-(2-fluoroethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID178104192
Molecular FormulaC12H21FN2O
Molecular Weight228.31 g/mol
Exact Mass228.16
IUPAC Name8-(2-fluoroethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESCC(C)C1=NOC2(CCN(CCF)CC2)C1
InChIInChI=1S/C12H21FN2O/c1-10(2)11-9-12(16-14-11)3-6-15(7-4-12)8-5-13/h10H,3-9H2,1-2H3
InChIKeyBRYFKVHLMKTQLX-UHFFFAOYSA-N
XLogP2.22
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-fluoroethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of 8-(2-fluoroethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 178104192) is 8-(2-fluoroethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for 8-(2-fluoroethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for 8-(2-fluoroethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is CC(C)C1=NOC2(CCN(CCF)CC2)C1.
What is the InChIKey of 8-(2-fluoroethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is BRYFKVHLMKTQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FN2O/c1-10(2)11-9-12(16-14-11)3-6-15(7-4-12)8-5-13/h10H,3-9H2,1-2H3.
What are the key properties of 8-(2-fluoroethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
8-(2-fluoroethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 228.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluoroethyl)-3-propan-2-yl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 178104192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).