2-butyl-8-(4,4-difluorocyclohexyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C20H33F2N3O — CID 170592255

IUPAC2-butyl-8-(4,4-difluorocyclohexyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCCCC1=NC2(CCN(C3CCC(F)(F)CC3)CC2)C(=O)N1C(C)C
InChIInChI=1S/C20H33F2N3O/c1-4-5-6-17-23-19(18(26)25(17)15(2)3)11-13-24(14-12-19)16-7-9-20(21,22)10-8-16/h15-16H,4-14H2,1-3H3
InChIKeyCNZGEIYTUIWSIU-UHFFFAOYSA-N
MW369.50 g/mol
LogP4.24
Rot. Bonds5

About 2-butyl-8-(4,4-difluorocyclohexyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-butyl-8-(4,4-difluorocyclohexyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 170592255) has the molecular formula C20H33F2N3O and a molecular weight of 369.50 g/mol. Its IUPAC name is 2-butyl-8-(4,4-difluorocyclohexyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-butyl-8-(4,4-difluorocyclohexyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID170592255
Molecular FormulaC20H33F2N3O
Molecular Weight369.50 g/mol
Exact Mass369.26
IUPAC Name2-butyl-8-(4,4-difluorocyclohexyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCCCCC1=NC2(CCN(C3CCC(F)(F)CC3)CC2)C(=O)N1C(C)C
InChIInChI=1S/C20H33F2N3O/c1-4-5-6-17-23-19(18(26)25(17)15(2)3)11-13-24(14-12-19)16-7-9-20(21,22)10-8-16/h15-16H,4-14H2,1-3H3
InChIKeyCNZGEIYTUIWSIU-UHFFFAOYSA-N
XLogP4.24
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.50
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,8-Dimethyl-2-[4-(3,3,3-trifluoropropyl)cyclohexyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 90464617
2-Butyl-8-(2,2,3,3,3-pentafluoropropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170411849
2-Butyl-3-ethyl-8-(2-fluoro-2-methylpropanoyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592013
2-Butyl-3-propan-2-yl-8-[4-(trifluoromethyl)cyclohexanecarbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592055
2-Butyl-8-(2,2-difluoropropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592065
2-Butyl-3-methyl-8-(3,3,3-trifluoropropanoyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one;ethane
CID 170592101
2-Butyl-8-(3,3-difluorocyclobutanecarbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592339
2-Butyl-3-propan-2-yl-9-(3,3,3-trifluoropropanoyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one
CID 170592402
2-Butyl-8-(1-fluorocyclopentanecarbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592420
8-(1-Fluorocyclopentanecarbonyl)-3-propan-2-yl-2-propyl-1,3,8-triazaspiro[5.5]undec-1-en-4-one
CID 170592431
2-Butyl-8-(2,2-difluoropropanoyl)-3-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592433
2-Butyl-8-(3-fluoropropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592472

Frequently Asked Questions

What is the IUPAC name of 2-butyl-8-(4,4-difluorocyclohexyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-butyl-8-(4,4-difluorocyclohexyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 170592255) is 2-butyl-8-(4,4-difluorocyclohexyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-butyl-8-(4,4-difluorocyclohexyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-butyl-8-(4,4-difluorocyclohexyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CCCCC1=NC2(CCN(C3CCC(F)(F)CC3)CC2)C(=O)N1C(C)C.
What is the InChIKey of 2-butyl-8-(4,4-difluorocyclohexyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is CNZGEIYTUIWSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33F2N3O/c1-4-5-6-17-23-19(18(26)25(17)15(2)3)11-13-24(14-12-19)16-7-9-20(21,22)10-8-16/h15-16H,4-14H2,1-3H3.
What are the key properties of 2-butyl-8-(4,4-difluorocyclohexyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-butyl-8-(4,4-difluorocyclohexyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 369.50 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-8-(4,4-difluorocyclohexyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 170592255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).