1-[3-(2-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4,4-difluoropentan-1-one

C18H21ClF2N2O2 — CID 118546620

IUPAC1-[3-(2-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4,4-difluoropentan-1-one
SMILESCC(F)(F)CCC(=O)N1CCC2(CC1)CC(c1ccccc1Cl)=NO2
InChIInChI=1S/C18H21ClF2N2O2/c1-17(20,21)7-6-16(24)23-10-8-18(9-11-23)12-15(22-25-18)13-4-2-3-5-14(13)19/h2-5H,6-12H2,1H3
InChIKeyGANGQWWODSIRBL-UHFFFAOYSA-N
MW370.83 g/mol
LogP4.26
Rot. Bonds4

About 1-[3-(2-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4,4-difluoropentan-1-one

1-[3-(2-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4,4-difluoropentan-1-one (PubChem CID 118546620) has the molecular formula C18H21ClF2N2O2 and a molecular weight of 370.83 g/mol. Its IUPAC name is 1-[3-(2-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4,4-difluoropentan-1-one.

Molecular Properties

Compound Name1-[3-(2-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4,4-difluoropentan-1-one
PubChem CID118546620
Molecular FormulaC18H21ClF2N2O2
Molecular Weight370.83 g/mol
Exact Mass370.13
IUPAC Name1-[3-(2-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4,4-difluoropentan-1-one
SMILESCC(F)(F)CCC(=O)N1CCC2(CC1)CC(c1ccccc1Cl)=NO2
InChIInChI=1S/C18H21ClF2N2O2/c1-17(20,21)7-6-16(24)23-10-8-18(9-11-23)12-15(22-25-18)13-4-2-3-5-14(13)19/h2-5H,6-12H2,1H3
InChIKeyGANGQWWODSIRBL-UHFFFAOYSA-N
XLogP4.26
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4,4-difluoropentan-1-one?
The IUPAC name of 1-[3-(2-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4,4-difluoropentan-1-one (CID 118546620) is 1-[3-(2-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4,4-difluoropentan-1-one.
What is the SMILES notation for 1-[3-(2-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4,4-difluoropentan-1-one?
The canonical SMILES for 1-[3-(2-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4,4-difluoropentan-1-one is CC(F)(F)CCC(=O)N1CCC2(CC1)CC(c1ccccc1Cl)=NO2.
What is the InChIKey of 1-[3-(2-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4,4-difluoropentan-1-one?
The InChIKey is GANGQWWODSIRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClF2N2O2/c1-17(20,21)7-6-16(24)23-10-8-18(9-11-23)12-15(22-25-18)13-4-2-3-5-14(13)19/h2-5H,6-12H2,1H3.
What are the key properties of 1-[3-(2-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4,4-difluoropentan-1-one?
1-[3-(2-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4,4-difluoropentan-1-one has a molecular weight of 370.83 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-4,4-difluoropentan-1-one is sourced from PubChem (CID 118546620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).