(1R,10bS)-2,2-difluoro-1-phenyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline

C17H15F2NO — CID 11129915

IUPAC(1R,10bS)-2,2-difluoro-1-phenyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline
SMILESFC1(F)ON2CCc3ccccc3[C@@H]2[C@H]1c1ccccc1
InChIInChI=1S/C17H15F2NO/c18-17(19)15(13-7-2-1-3-8-13)16-14-9-5-4-6-12(14)10-11-20(16)21-17/h1-9,15-16H,10-11H2/t15-,16-/m1/s1
InChIKeyPKNIFHJWRPTHIT-HZPDHXFCSA-N
MW287.31 g/mol
LogP3.91
Rot. Bonds1

About (1R,10bS)-2,2-difluoro-1-phenyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline

(1R,10bS)-2,2-difluoro-1-phenyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline (PubChem CID 11129915) has the molecular formula C17H15F2NO and a molecular weight of 287.31 g/mol. Its IUPAC name is (1R,10bS)-2,2-difluoro-1-phenyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline.

Molecular Properties

Compound Name(1R,10bS)-2,2-difluoro-1-phenyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline
PubChem CID11129915
Molecular FormulaC17H15F2NO
Molecular Weight287.31 g/mol
Exact Mass287.11
IUPAC Name(1R,10bS)-2,2-difluoro-1-phenyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline
SMILESFC1(F)ON2CCc3ccccc3[C@@H]2[C@H]1c1ccccc1
InChIInChI=1S/C17H15F2NO/c18-17(19)15(13-7-2-1-3-8-13)16-14-9-5-4-6-12(14)10-11-20(16)21-17/h1-9,15-16H,10-11H2/t15-,16-/m1/s1
InChIKeyPKNIFHJWRPTHIT-HZPDHXFCSA-N
XLogP3.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,10bS)-2,2-difluoro-1-phenyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline with MolForge

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Related Compounds

(6R,10bS)-6-[2-(trifluoromethyl)phenyl]-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CID 44282025
(3R,3aR)-2,2-difluoro-3-phenyl-3,3a,4,5-tetrahydro-[1,2]oxazolo[2,3-a]quinoline
CID 134872019
2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline
CID 154206022
2,2-Difluoro-1-phenyl-1,5,6,10b-tetrahydro-2H-isoxazolo[3,2-a]isoquinoline
CID 379645
(1R)-2,2-difluoro-1-phenyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline
CID 6712272
(6R,10bR)-6-[2-(trifluoromethyl)phenyl]-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CID 13903162
Spiro[2,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline-1,1'-cyclopropane]
CID 11413006
Spiro[1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline-2,1'-cyclopropane]
CID 11435605
(10bR)-spiro[1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline-2,1'-cyclopropane]
CID 101351847
(1R,10bS)-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline-1-carbonitrile
CID 101470332
(1S,10bR)-2,5,6,10b-tetrahydro-1H-[1,2]oxazolo[3,2-a]isoquinoline-1-carbonitrile
CID 101470333
(1R,5R,9R)-5-phenyl-7-oxa-6-azatricyclo[7.4.0.01,6]tridecane
CID 132505922

Frequently Asked Questions

What is the IUPAC name of (1R,10bS)-2,2-difluoro-1-phenyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline?
The IUPAC name of (1R,10bS)-2,2-difluoro-1-phenyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline (CID 11129915) is (1R,10bS)-2,2-difluoro-1-phenyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline.
What is the SMILES notation for (1R,10bS)-2,2-difluoro-1-phenyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline?
The canonical SMILES for (1R,10bS)-2,2-difluoro-1-phenyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline is FC1(F)ON2CCc3ccccc3[C@@H]2[C@H]1c1ccccc1.
What is the InChIKey of (1R,10bS)-2,2-difluoro-1-phenyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline?
The InChIKey is PKNIFHJWRPTHIT-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H15F2NO/c18-17(19)15(13-7-2-1-3-8-13)16-14-9-5-4-6-12(14)10-11-20(16)21-17/h1-9,15-16H,10-11H2/t15-,16-/m1/s1.
What are the key properties of (1R,10bS)-2,2-difluoro-1-phenyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline?
(1R,10bS)-2,2-difluoro-1-phenyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline has a molecular weight of 287.31 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10bS)-2,2-difluoro-1-phenyl-1,5,6,10b-tetrahydro-[1,2]oxazolo[3,2-a]isoquinoline is sourced from PubChem (CID 11129915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).