(1S,4R,8R)-4-propan-2-yl-9-[[2-(trifluoromethyl)phenyl]methyl]-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one

C19H23F3N2O2 — CID 154816239

IUPAC(1S,4R,8R)-4-propan-2-yl-9-[[2-(trifluoromethyl)phenyl]methyl]-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one
SMILESCC(C)[C@@H]1CO[C@@]23CCN(Cc4ccccc4C(F)(F)F)[C@@H]2CC(=O)N13
InChIInChI=1S/C19H23F3N2O2/c1-12(2)15-11-26-18-7-8-23(16(18)9-17(25)24(15)18)10-13-5-3-4-6-14(13)19(20,21)22/h3-6,12,15-16H,7-11H2,1-2H3/t15-,16+,18-/m0/s1
InChIKeyRRAJYFAMANKTRG-JZXOWHBKSA-N
MW368.40 g/mol
LogP3.26
Rot. Bonds3

About (1S,4R,8R)-4-propan-2-yl-9-[[2-(trifluoromethyl)phenyl]methyl]-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one

(1S,4R,8R)-4-propan-2-yl-9-[[2-(trifluoromethyl)phenyl]methyl]-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one (PubChem CID 154816239) has the molecular formula C19H23F3N2O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is (1S,4R,8R)-4-propan-2-yl-9-[[2-(trifluoromethyl)phenyl]methyl]-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one.

Molecular Properties

Compound Name(1S,4R,8R)-4-propan-2-yl-9-[[2-(trifluoromethyl)phenyl]methyl]-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one
PubChem CID154816239
Molecular FormulaC19H23F3N2O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC Name(1S,4R,8R)-4-propan-2-yl-9-[[2-(trifluoromethyl)phenyl]methyl]-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one
SMILESCC(C)[C@@H]1CO[C@@]23CCN(Cc4ccccc4C(F)(F)F)[C@@H]2CC(=O)N13
InChIInChI=1S/C19H23F3N2O2/c1-12(2)15-11-26-18-7-8-23(16(18)9-17(25)24(15)18)10-13-5-3-4-6-14(13)19(20,21)22/h3-6,12,15-16H,7-11H2,1-2H3/t15-,16+,18-/m0/s1
InChIKeyRRAJYFAMANKTRG-JZXOWHBKSA-N
XLogP3.26
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S,4R,8R)-4-propan-2-yl-9-[[2-(trifluoromethyl)phenyl]methyl]-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,4R,8R)-4-propan-2-yl-9-[[2-(trifluoromethyl)phenyl]methyl]-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one?
The IUPAC name of (1S,4R,8R)-4-propan-2-yl-9-[[2-(trifluoromethyl)phenyl]methyl]-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one (CID 154816239) is (1S,4R,8R)-4-propan-2-yl-9-[[2-(trifluoromethyl)phenyl]methyl]-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one.
What is the SMILES notation for (1S,4R,8R)-4-propan-2-yl-9-[[2-(trifluoromethyl)phenyl]methyl]-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one?
The canonical SMILES for (1S,4R,8R)-4-propan-2-yl-9-[[2-(trifluoromethyl)phenyl]methyl]-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one is CC(C)[C@@H]1CO[C@@]23CCN(Cc4ccccc4C(F)(F)F)[C@@H]2CC(=O)N13.
What is the InChIKey of (1S,4R,8R)-4-propan-2-yl-9-[[2-(trifluoromethyl)phenyl]methyl]-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one?
The InChIKey is RRAJYFAMANKTRG-JZXOWHBKSA-N. The full InChI is InChI=1S/C19H23F3N2O2/c1-12(2)15-11-26-18-7-8-23(16(18)9-17(25)24(15)18)10-13-5-3-4-6-14(13)19(20,21)22/h3-6,12,15-16H,7-11H2,1-2H3/t15-,16+,18-/m0/s1.
What are the key properties of (1S,4R,8R)-4-propan-2-yl-9-[[2-(trifluoromethyl)phenyl]methyl]-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one?
(1S,4R,8R)-4-propan-2-yl-9-[[2-(trifluoromethyl)phenyl]methyl]-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one has a molecular weight of 368.40 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,8R)-4-propan-2-yl-9-[[2-(trifluoromethyl)phenyl]methyl]-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one is sourced from PubChem (CID 154816239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).