(1S)-10,10-difluoro-5-phenyl-4-oxa-6-azatricyclo[6.3.0.02,6]undecan-7-one

C15H15F2NO2 — CID 58807898

IUPAC(1S)-10,10-difluoro-5-phenyl-4-oxa-6-azatricyclo[6.3.0.02,6]undecan-7-one
SMILESO=C1C2CC(F)(F)C[C@@H]2C2COC(c3ccccc3)N12
InChIInChI=1S/C15H15F2NO2/c16-15(17)6-10-11(7-15)13(19)18-12(10)8-20-14(18)9-4-2-1-3-5-9/h1-5,10-12,14H,6-8H2/t10-,11?,12?,14?/m0/s1
InChIKeyNHAWPOWXUOZIEW-ZZIMEFBRSA-N
MW279.29 g/mol
LogP2.59
Rot. Bonds1

About (1S)-10,10-difluoro-5-phenyl-4-oxa-6-azatricyclo[6.3.0.02,6]undecan-7-one

(1S)-10,10-difluoro-5-phenyl-4-oxa-6-azatricyclo[6.3.0.02,6]undecan-7-one (PubChem CID 58807898) has the molecular formula C15H15F2NO2 and a molecular weight of 279.29 g/mol. Its IUPAC name is (1S)-10,10-difluoro-5-phenyl-4-oxa-6-azatricyclo[6.3.0.02,6]undecan-7-one.

Molecular Properties

Compound Name(1S)-10,10-difluoro-5-phenyl-4-oxa-6-azatricyclo[6.3.0.02,6]undecan-7-one
PubChem CID58807898
Molecular FormulaC15H15F2NO2
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name(1S)-10,10-difluoro-5-phenyl-4-oxa-6-azatricyclo[6.3.0.02,6]undecan-7-one
SMILESO=C1C2CC(F)(F)C[C@@H]2C2COC(c3ccccc3)N12
InChIInChI=1S/C15H15F2NO2/c16-15(17)6-10-11(7-15)13(19)18-12(10)8-20-14(18)9-4-2-1-3-5-9/h1-5,10-12,14H,6-8H2/t10-,11?,12?,14?/m0/s1
InChIKeyNHAWPOWXUOZIEW-ZZIMEFBRSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-10,10-difluoro-5-phenyl-4-oxa-6-azatricyclo[6.3.0.02,6]undecan-7-one?
The IUPAC name of (1S)-10,10-difluoro-5-phenyl-4-oxa-6-azatricyclo[6.3.0.02,6]undecan-7-one (CID 58807898) is (1S)-10,10-difluoro-5-phenyl-4-oxa-6-azatricyclo[6.3.0.02,6]undecan-7-one.
What is the SMILES notation for (1S)-10,10-difluoro-5-phenyl-4-oxa-6-azatricyclo[6.3.0.02,6]undecan-7-one?
The canonical SMILES for (1S)-10,10-difluoro-5-phenyl-4-oxa-6-azatricyclo[6.3.0.02,6]undecan-7-one is O=C1C2CC(F)(F)C[C@@H]2C2COC(c3ccccc3)N12.
What is the InChIKey of (1S)-10,10-difluoro-5-phenyl-4-oxa-6-azatricyclo[6.3.0.02,6]undecan-7-one?
The InChIKey is NHAWPOWXUOZIEW-ZZIMEFBRSA-N. The full InChI is InChI=1S/C15H15F2NO2/c16-15(17)6-10-11(7-15)13(19)18-12(10)8-20-14(18)9-4-2-1-3-5-9/h1-5,10-12,14H,6-8H2/t10-,11?,12?,14?/m0/s1.
What are the key properties of (1S)-10,10-difluoro-5-phenyl-4-oxa-6-azatricyclo[6.3.0.02,6]undecan-7-one?
(1S)-10,10-difluoro-5-phenyl-4-oxa-6-azatricyclo[6.3.0.02,6]undecan-7-one has a molecular weight of 279.29 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-10,10-difluoro-5-phenyl-4-oxa-6-azatricyclo[6.3.0.02,6]undecan-7-one is sourced from PubChem (CID 58807898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).