3-(4-cyclopropyloxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane

C16H20FNO — CID 114520531

IUPAC3-(4-cyclopropyloxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane
SMILESFC1(c2ccc(OC3CC3)cc2)CC2CCC(C1)N2
InChIInChI=1S/C16H20FNO/c17-16(9-12-3-4-13(10-16)18-12)11-1-5-14(6-2-11)19-15-7-8-15/h1-2,5-6,12-13,15,18H,3-4,7-10H2
InChIKeyXNAKCTQXXJRSKD-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.31
Rot. Bonds3

About 3-(4-cyclopropyloxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane

3-(4-cyclopropyloxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane (PubChem CID 114520531) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is 3-(4-cyclopropyloxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(4-cyclopropyloxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane
PubChem CID114520531
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name3-(4-cyclopropyloxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane
SMILESFC1(c2ccc(OC3CC3)cc2)CC2CCC(C1)N2
InChIInChI=1S/C16H20FNO/c17-16(9-12-3-4-13(10-16)18-12)11-1-5-14(6-2-11)19-15-7-8-15/h1-2,5-6,12-13,15,18H,3-4,7-10H2
InChIKeyXNAKCTQXXJRSKD-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyloxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(4-cyclopropyloxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane (CID 114520531) is 3-(4-cyclopropyloxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(4-cyclopropyloxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(4-cyclopropyloxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane is FC1(c2ccc(OC3CC3)cc2)CC2CCC(C1)N2.
What is the InChIKey of 3-(4-cyclopropyloxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane?
The InChIKey is XNAKCTQXXJRSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c17-16(9-12-3-4-13(10-16)18-12)11-1-5-14(6-2-11)19-15-7-8-15/h1-2,5-6,12-13,15,18H,3-4,7-10H2.
What are the key properties of 3-(4-cyclopropyloxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane?
3-(4-cyclopropyloxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane has a molecular weight of 261.34 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyloxyphenyl)-3-fluoro-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 114520531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).