3,11-bis(trifluoromethyl)-7-azadispiro[5.1.58.36]hexadecan-15-one

C17H23F6NO — CID 165129273

IUPAC3,11-bis(trifluoromethyl)-7-azadispiro[5.1.58.36]hexadecan-15-one
SMILESO=C1CC2(CCC(C(F)(F)F)CC2)NC2(CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C17H23F6NO/c18-16(19,20)11-1-5-14(6-2-11)9-13(25)10-15(24-14)7-3-12(4-8-15)17(21,22)23/h11-12,24H,1-10H2
InChIKeyXCGGEAXODQEUCY-UHFFFAOYSA-N
MW371.37 g/mol
LogP4.92
Rot. Bonds

About 3,11-bis(trifluoromethyl)-7-azadispiro[5.1.58.36]hexadecan-15-one

3,11-bis(trifluoromethyl)-7-azadispiro[5.1.58.36]hexadecan-15-one (PubChem CID 165129273) has the molecular formula C17H23F6NO and a molecular weight of 371.37 g/mol. Its IUPAC name is 3,11-bis(trifluoromethyl)-7-azadispiro[5.1.58.36]hexadecan-15-one.

Molecular Properties

Compound Name3,11-bis(trifluoromethyl)-7-azadispiro[5.1.58.36]hexadecan-15-one
PubChem CID165129273
Molecular FormulaC17H23F6NO
Molecular Weight371.37 g/mol
Exact Mass371.17
IUPAC Name3,11-bis(trifluoromethyl)-7-azadispiro[5.1.58.36]hexadecan-15-one
SMILESO=C1CC2(CCC(C(F)(F)F)CC2)NC2(CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C17H23F6NO/c18-16(19,20)11-1-5-14(6-2-11)9-13(25)10-15(24-14)7-3-12(4-8-15)17(21,22)23/h11-12,24H,1-10H2
InChIKeyXCGGEAXODQEUCY-UHFFFAOYSA-N
XLogP4.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(trifluoromethyl)-2-azaspiro[4.5]decane-1,3-dione
CID 64754037
15-methoxy-3,11-bis(trifluoromethyl)-7-azadispiro[5.1.58.36]hexadecane
CID 165129271
6-(trifluoromethyl)-4-azaspiro[2.5]octane
CID 136575476
9-(trifluoromethyl)-1,4-diazaspiro[5.5]undecan-5-one
CID 64757957
7-tert-butyl-1-azaspiro[3.5]nonan-2-one
CID 64663866
5-[4-(trifluoromethyl)cyclohexyl]imidazolidine-2,4-dione
CID 162362321
5-(trifluoromethyl)azepan-2-one
CID 12579051
1-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 22561606
1-(4-fluorophenyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64756353
10-(trifluoromethyl)spiro[5.5]undecan-3-one
CID 119088360
1-methyl-4-(trifluoromethyl)cyclohexane-1-carboxylate
CID 86703553
1-ethyl-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756511

Frequently Asked Questions

What is the IUPAC name of 3,11-bis(trifluoromethyl)-7-azadispiro[5.1.58.36]hexadecan-15-one?
The IUPAC name of 3,11-bis(trifluoromethyl)-7-azadispiro[5.1.58.36]hexadecan-15-one (CID 165129273) is 3,11-bis(trifluoromethyl)-7-azadispiro[5.1.58.36]hexadecan-15-one.
What is the SMILES notation for 3,11-bis(trifluoromethyl)-7-azadispiro[5.1.58.36]hexadecan-15-one?
The canonical SMILES for 3,11-bis(trifluoromethyl)-7-azadispiro[5.1.58.36]hexadecan-15-one is O=C1CC2(CCC(C(F)(F)F)CC2)NC2(CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of 3,11-bis(trifluoromethyl)-7-azadispiro[5.1.58.36]hexadecan-15-one?
The InChIKey is XCGGEAXODQEUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F6NO/c18-16(19,20)11-1-5-14(6-2-11)9-13(25)10-15(24-14)7-3-12(4-8-15)17(21,22)23/h11-12,24H,1-10H2.
What are the key properties of 3,11-bis(trifluoromethyl)-7-azadispiro[5.1.58.36]hexadecan-15-one?
3,11-bis(trifluoromethyl)-7-azadispiro[5.1.58.36]hexadecan-15-one has a molecular weight of 371.37 g/mol, XLogP of 4.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,11-bis(trifluoromethyl)-7-azadispiro[5.1.58.36]hexadecan-15-one is sourced from PubChem (CID 165129273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).