7-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene

C15H16F3NO — CID 171974968

IUPAC7-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene
SMILESCc1cc(C2=CC3COCC(C2)N3)cc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3NO/c1-9-2-10(4-12(3-9)15(16,17)18)11-5-13-7-20-8-14(6-11)19-13/h2-5,13-14,19H,6-8H2,1H3
InChIKeyYPRRWCYZFXZEGJ-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.16
Rot. Bonds1

About 7-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene

7-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene (PubChem CID 171974968) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is 7-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene.

Molecular Properties

Compound Name7-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene
PubChem CID171974968
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC Name7-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene
SMILESCc1cc(C2=CC3COCC(C2)N3)cc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3NO/c1-9-2-10(4-12(3-9)15(16,17)18)11-5-13-7-20-8-14(6-11)19-13/h2-5,13-14,19H,6-8H2,1H3
InChIKeyYPRRWCYZFXZEGJ-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(2,6-diethyl-4-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171975058
3-[3-methoxy-5-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]oct-2-ene
CID 171974952
7-[2-fluoro-4-(trifluoromethoxy)phenyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171973894
7-(9H-fluoren-2-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171973343
1-[4-(3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)phenyl]cyclopropane-1-carbonitrile
CID 171974695
1-[3-(3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)phenyl]cyclopropane-1-carbonitrile
CID 171974692
1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
CID 143497301
9-benzyl-7-[3,5-bis(trifluoromethyl)phenyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171967453
7-(5-phenylmethoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171972999
3-nitro-4-(3-oxa-9-azabicyclo[3.3.1]non-6-en-7-yl)benzoic acid
CID 171974003
1-methyl-3-phenyl-5-(trifluoromethyl)benzene
CID 46315073
9-benzyl-7-[3-methoxy-5-(trifluoromethyl)phenyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171968241

Frequently Asked Questions

What is the IUPAC name of 7-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene?
The IUPAC name of 7-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene (CID 171974968) is 7-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene.
What is the SMILES notation for 7-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene?
The canonical SMILES for 7-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene is Cc1cc(C2=CC3COCC(C2)N3)cc(C(F)(F)F)c1.
What is the InChIKey of 7-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene?
The InChIKey is YPRRWCYZFXZEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO/c1-9-2-10(4-12(3-9)15(16,17)18)11-5-13-7-20-8-14(6-11)19-13/h2-5,13-14,19H,6-8H2,1H3.
What are the key properties of 7-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene?
7-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene has a molecular weight of 283.29 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-methyl-5-(trifluoromethyl)phenyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene is sourced from PubChem (CID 171974968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).