7-(2-fluoro-4-phenylmethoxyphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene

C20H20FNO2 — CID 171971592

IUPAC7-(2-fluoro-4-phenylmethoxyphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
SMILESFc1cc(OCc2ccccc2)ccc1C1=CC2COCC(C1)N2
InChIInChI=1S/C20H20FNO2/c21-20-10-18(24-11-14-4-2-1-3-5-14)6-7-19(20)15-8-16-12-23-13-17(9-15)22-16/h1-8,10,16-17,22H,9,11-13H2
InChIKeyFFWPYXVHHJPEPZ-UHFFFAOYSA-N
MW325.38 g/mol
LogP3.55
Rot. Bonds4

About 7-(2-fluoro-4-phenylmethoxyphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene

7-(2-fluoro-4-phenylmethoxyphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene (PubChem CID 171971592) has the molecular formula C20H20FNO2 and a molecular weight of 325.38 g/mol. Its IUPAC name is 7-(2-fluoro-4-phenylmethoxyphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene.

Molecular Properties

Compound Name7-(2-fluoro-4-phenylmethoxyphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
PubChem CID171971592
Molecular FormulaC20H20FNO2
Molecular Weight325.38 g/mol
Exact Mass325.15
IUPAC Name7-(2-fluoro-4-phenylmethoxyphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
SMILESFc1cc(OCc2ccccc2)ccc1C1=CC2COCC(C1)N2
InChIInChI=1S/C20H20FNO2/c21-20-10-18(24-11-14-4-2-1-3-5-14)6-7-19(20)15-8-16-12-23-13-17(9-15)22-16/h1-8,10,16-17,22H,9,11-13H2
InChIKeyFFWPYXVHHJPEPZ-UHFFFAOYSA-N
XLogP3.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[2-fluoro-4-(trifluoromethoxy)phenyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171973894
7-(5-phenylmethoxy-3-pyridinyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171972999
9-benzyl-7-(2-fluoro-4-methoxyphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171971074
benzyl 7-[2-fluoro-4-(methoxymethoxy)phenyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene-9-carboxylate
CID 171967444
1-(4-bromophenyl)-2-fluoro-4-phenylmethoxybenzene
CID 54462897
7-(9H-fluoren-2-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171973343
1-bromo-2-fluoro-4-[2-fluoro-4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]benzene
CID 54361131
9-methyl-7-(4-phenylmethoxyphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171971626
2-phenyl-5-phenylmethoxyphenol
CID 123808909
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
3-fluoro-4-(4-phenylmethoxyphenyl)phenol
CID 53219756
2-fluoro-4-[(3-methylphenyl)methoxy]-1-phenylbenzene
CID 3743776

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-4-phenylmethoxyphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene?
The IUPAC name of 7-(2-fluoro-4-phenylmethoxyphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene (CID 171971592) is 7-(2-fluoro-4-phenylmethoxyphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene.
What is the SMILES notation for 7-(2-fluoro-4-phenylmethoxyphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene?
The canonical SMILES for 7-(2-fluoro-4-phenylmethoxyphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene is Fc1cc(OCc2ccccc2)ccc1C1=CC2COCC(C1)N2.
What is the InChIKey of 7-(2-fluoro-4-phenylmethoxyphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene?
The InChIKey is FFWPYXVHHJPEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2/c21-20-10-18(24-11-14-4-2-1-3-5-14)6-7-19(20)15-8-16-12-23-13-17(9-15)22-16/h1-8,10,16-17,22H,9,11-13H2.
What are the key properties of 7-(2-fluoro-4-phenylmethoxyphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene?
7-(2-fluoro-4-phenylmethoxyphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene has a molecular weight of 325.38 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoro-4-phenylmethoxyphenyl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene is sourced from PubChem (CID 171971592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).