methane;2-[4-(2,2,2-trifluoroethoxymethyl)cyclohexyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C17H28F3N3O2 — CID 162237272

IUPACmethane;2-[4-(2,2,2-trifluoroethoxymethyl)cyclohexyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESC.O=C1NC(C2CCC(COCC(F)(F)F)CC2)=NC12CCNCC2
InChIInChI=1S/C16H24F3N3O2.CH4/c17-16(18,19)10-24-9-11-1-3-12(4-2-11)13-21-14(23)15(22-13)5-7-20-8-6-15;/h11-12,20H,1-10H2,(H,21,22,23);1H4
InChIKeyZWFNREKOKCBLET-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.66
Rot. Bonds4

About methane;2-[4-(2,2,2-trifluoroethoxymethyl)cyclohexyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one

methane;2-[4-(2,2,2-trifluoroethoxymethyl)cyclohexyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 162237272) has the molecular formula C17H28F3N3O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is methane;2-[4-(2,2,2-trifluoroethoxymethyl)cyclohexyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Namemethane;2-[4-(2,2,2-trifluoroethoxymethyl)cyclohexyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID162237272
Molecular FormulaC17H28F3N3O2
Molecular Weight363.42 g/mol
Exact Mass363.21
IUPAC Namemethane;2-[4-(2,2,2-trifluoroethoxymethyl)cyclohexyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESC.O=C1NC(C2CCC(COCC(F)(F)F)CC2)=NC12CCNCC2
InChIInChI=1S/C16H24F3N3O2.CH4/c17-16(18,19)10-24-9-11-1-3-12(4-2-11)13-21-14(23)15(22-13)5-7-20-8-6-15;/h11-12,20H,1-10H2,(H,21,22,23);1H4
InChIKeyZWFNREKOKCBLET-UHFFFAOYSA-N
XLogP2.66
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methane;2-[4-(2,2,2-trifluoroethoxymethyl)cyclohexyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of methane;2-[4-(2,2,2-trifluoroethoxymethyl)cyclohexyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 162237272) is methane;2-[4-(2,2,2-trifluoroethoxymethyl)cyclohexyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for methane;2-[4-(2,2,2-trifluoroethoxymethyl)cyclohexyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for methane;2-[4-(2,2,2-trifluoroethoxymethyl)cyclohexyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one is C.O=C1NC(C2CCC(COCC(F)(F)F)CC2)=NC12CCNCC2.
What is the InChIKey of methane;2-[4-(2,2,2-trifluoroethoxymethyl)cyclohexyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is ZWFNREKOKCBLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O2.CH4/c17-16(18,19)10-24-9-11-1-3-12(4-2-11)13-21-14(23)15(22-13)5-7-20-8-6-15;/h11-12,20H,1-10H2,(H,21,22,23);1H4.
What are the key properties of methane;2-[4-(2,2,2-trifluoroethoxymethyl)cyclohexyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
methane;2-[4-(2,2,2-trifluoroethoxymethyl)cyclohexyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 363.42 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-[4-(2,2,2-trifluoroethoxymethyl)cyclohexyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 162237272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).