7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

C17H22FNO3 — CID 171957442

IUPAC7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESOC1(c2cc(F)ccc2OCC2CC2)CC2COCC(C1)N2
InChIInChI=1S/C17H22FNO3/c18-12-3-4-16(22-8-11-1-2-11)15(5-12)17(20)6-13-9-21-10-14(7-17)19-13/h3-5,11,13-14,19-20H,1-2,6-10H2
InChIKeyRVTPTMLMMSMSAU-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.95
Rot. Bonds4

About 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (PubChem CID 171957442) has the molecular formula C17H22FNO3 and a molecular weight of 307.36 g/mol. Its IUPAC name is 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
PubChem CID171957442
Molecular FormulaC17H22FNO3
Molecular Weight307.36 g/mol
Exact Mass307.16
IUPAC Name7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESOC1(c2cc(F)ccc2OCC2CC2)CC2COCC(C1)N2
InChIInChI=1S/C17H22FNO3/c18-12-3-4-16(22-8-11-1-2-11)15(5-12)17(20)6-13-9-21-10-14(7-17)19-13/h3-5,11,13-14,19-20H,1-2,6-10H2
InChIKeyRVTPTMLMMSMSAU-UHFFFAOYSA-N
XLogP1.95
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (CID 171957442) is 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is OC1(c2cc(F)ccc2OCC2CC2)CC2COCC(C1)N2.
What is the InChIKey of 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The InChIKey is RVTPTMLMMSMSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c18-12-3-4-16(22-8-11-1-2-11)15(5-12)17(20)6-13-9-21-10-14(7-17)19-13/h3-5,11,13-14,19-20H,1-2,6-10H2.
What are the key properties of 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol has a molecular weight of 307.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 171957442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).