10b-methyl-6-phenyl-4a-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-pyrano[4,3-c]isoquinoline

C21H20F3NO — CID 175399563

IUPAC10b-methyl-6-phenyl-4a-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-pyrano[4,3-c]isoquinoline
SMILESCC12COCCC1(CC(F)(F)F)N=C(c1ccccc1)c1ccccc12
InChIInChI=1S/C21H20F3NO/c1-19-14-26-12-11-20(19,13-21(22,23)24)25-18(15-7-3-2-4-8-15)16-9-5-6-10-17(16)19/h2-10H,11-14H2,1H3
InChIKeyPHCFAUVVYDENKW-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.91
Rot. Bonds2

About 10b-methyl-6-phenyl-4a-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-pyrano[4,3-c]isoquinoline

10b-methyl-6-phenyl-4a-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-pyrano[4,3-c]isoquinoline (PubChem CID 175399563) has the molecular formula C21H20F3NO and a molecular weight of 359.39 g/mol. Its IUPAC name is 10b-methyl-6-phenyl-4a-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-pyrano[4,3-c]isoquinoline.

Molecular Properties

Compound Name10b-methyl-6-phenyl-4a-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-pyrano[4,3-c]isoquinoline
PubChem CID175399563
Molecular FormulaC21H20F3NO
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name10b-methyl-6-phenyl-4a-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-pyrano[4,3-c]isoquinoline
SMILESCC12COCCC1(CC(F)(F)F)N=C(c1ccccc1)c1ccccc12
InChIInChI=1S/C21H20F3NO/c1-19-14-26-12-11-20(19,13-21(22,23)24)25-18(15-7-3-2-4-8-15)16-9-5-6-10-17(16)19/h2-10H,11-14H2,1H3
InChIKeyPHCFAUVVYDENKW-UHFFFAOYSA-N
XLogP4.91
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10b-methyl-6-phenyl-4a-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-pyrano[4,3-c]isoquinoline?
The IUPAC name of 10b-methyl-6-phenyl-4a-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-pyrano[4,3-c]isoquinoline (CID 175399563) is 10b-methyl-6-phenyl-4a-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-pyrano[4,3-c]isoquinoline.
What is the SMILES notation for 10b-methyl-6-phenyl-4a-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-pyrano[4,3-c]isoquinoline?
The canonical SMILES for 10b-methyl-6-phenyl-4a-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-pyrano[4,3-c]isoquinoline is CC12COCCC1(CC(F)(F)F)N=C(c1ccccc1)c1ccccc12.
What is the InChIKey of 10b-methyl-6-phenyl-4a-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-pyrano[4,3-c]isoquinoline?
The InChIKey is PHCFAUVVYDENKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3NO/c1-19-14-26-12-11-20(19,13-21(22,23)24)25-18(15-7-3-2-4-8-15)16-9-5-6-10-17(16)19/h2-10H,11-14H2,1H3.
What are the key properties of 10b-methyl-6-phenyl-4a-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-pyrano[4,3-c]isoquinoline?
10b-methyl-6-phenyl-4a-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-pyrano[4,3-c]isoquinoline has a molecular weight of 359.39 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10b-methyl-6-phenyl-4a-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-pyrano[4,3-c]isoquinoline is sourced from PubChem (CID 175399563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).