(7S)-8-tert-butyl-7-methyl-3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

C19H25F3N2O2 — CID 176809527

IUPAC(7S)-8-tert-butyl-7-methyl-3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESC[C@H]1CC2(CCN1C(C)(C)C)CC(c1ccc(OC(F)(F)F)cc1)=NO2
InChIInChI=1S/C19H25F3N2O2/c1-13-11-18(9-10-24(13)17(2,3)4)12-16(23-26-18)14-5-7-15(8-6-14)25-19(20,21)22/h5-8,13H,9-12H2,1-4H3/t13-,18?/m0/s1
InChIKeyOLSZRMVHANSKBB-FVRDMJKUSA-N
MW370.42 g/mol
LogP4.73
Rot. Bonds2

About (7S)-8-tert-butyl-7-methyl-3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

(7S)-8-tert-butyl-7-methyl-3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (PubChem CID 176809527) has the molecular formula C19H25F3N2O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is (7S)-8-tert-butyl-7-methyl-3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name(7S)-8-tert-butyl-7-methyl-3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
PubChem CID176809527
Molecular FormulaC19H25F3N2O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC Name(7S)-8-tert-butyl-7-methyl-3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
SMILESC[C@H]1CC2(CCN1C(C)(C)C)CC(c1ccc(OC(F)(F)F)cc1)=NO2
InChIInChI=1S/C19H25F3N2O2/c1-13-11-18(9-10-24(13)17(2,3)4)12-16(23-26-18)14-5-7-15(8-6-14)25-19(20,21)22/h5-8,13H,9-12H2,1-4H3/t13-,18?/m0/s1
InChIKeyOLSZRMVHANSKBB-FVRDMJKUSA-N
XLogP4.73
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7S)-8-tert-butyl-7-methyl-3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The IUPAC name of (7S)-8-tert-butyl-7-methyl-3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene (CID 176809527) is (7S)-8-tert-butyl-7-methyl-3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene.
What is the SMILES notation for (7S)-8-tert-butyl-7-methyl-3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The canonical SMILES for (7S)-8-tert-butyl-7-methyl-3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is C[C@H]1CC2(CCN1C(C)(C)C)CC(c1ccc(OC(F)(F)F)cc1)=NO2.
What is the InChIKey of (7S)-8-tert-butyl-7-methyl-3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
The InChIKey is OLSZRMVHANSKBB-FVRDMJKUSA-N. The full InChI is InChI=1S/C19H25F3N2O2/c1-13-11-18(9-10-24(13)17(2,3)4)12-16(23-26-18)14-5-7-15(8-6-14)25-19(20,21)22/h5-8,13H,9-12H2,1-4H3/t13-,18?/m0/s1.
What are the key properties of (7S)-8-tert-butyl-7-methyl-3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene?
(7S)-8-tert-butyl-7-methyl-3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene has a molecular weight of 370.42 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-8-tert-butyl-7-methyl-3-[4-(trifluoromethoxy)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene is sourced from PubChem (CID 176809527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).