3-[(2-fluorocyclohexa-1,3-dien-1-yl)oxymethyl]-8-azabicyclo[3.2.1]octane

C14H20FNO — CID 70842109

IUPAC3-[(2-fluorocyclohexa-1,3-dien-1-yl)oxymethyl]-8-azabicyclo[3.2.1]octane
SMILESFC1=C(OCC2CC3CCC(C2)N3)CCC=C1
InChIInChI=1S/C14H20FNO/c15-13-3-1-2-4-14(13)17-9-10-7-11-5-6-12(8-10)16-11/h1,3,10-12,16H,2,4-9H2
InChIKeyTZWPZWGHRCCCLN-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.06
Rot. Bonds3

About 3-[(2-fluorocyclohexa-1,3-dien-1-yl)oxymethyl]-8-azabicyclo[3.2.1]octane

3-[(2-fluorocyclohexa-1,3-dien-1-yl)oxymethyl]-8-azabicyclo[3.2.1]octane (PubChem CID 70842109) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-[(2-fluorocyclohexa-1,3-dien-1-yl)oxymethyl]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[(2-fluorocyclohexa-1,3-dien-1-yl)oxymethyl]-8-azabicyclo[3.2.1]octane
PubChem CID70842109
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-[(2-fluorocyclohexa-1,3-dien-1-yl)oxymethyl]-8-azabicyclo[3.2.1]octane
SMILESFC1=C(OCC2CC3CCC(C2)N3)CCC=C1
InChIInChI=1S/C14H20FNO/c15-13-3-1-2-4-14(13)17-9-10-7-11-5-6-12(8-10)16-11/h1,3,10-12,16H,2,4-9H2
InChIKeyTZWPZWGHRCCCLN-UHFFFAOYSA-N
XLogP3.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorocyclohexa-1,3-dien-1-yl)oxymethyl]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[(2-fluorocyclohexa-1,3-dien-1-yl)oxymethyl]-8-azabicyclo[3.2.1]octane (CID 70842109) is 3-[(2-fluorocyclohexa-1,3-dien-1-yl)oxymethyl]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[(2-fluorocyclohexa-1,3-dien-1-yl)oxymethyl]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[(2-fluorocyclohexa-1,3-dien-1-yl)oxymethyl]-8-azabicyclo[3.2.1]octane is FC1=C(OCC2CC3CCC(C2)N3)CCC=C1.
What is the InChIKey of 3-[(2-fluorocyclohexa-1,3-dien-1-yl)oxymethyl]-8-azabicyclo[3.2.1]octane?
The InChIKey is TZWPZWGHRCCCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c15-13-3-1-2-4-14(13)17-9-10-7-11-5-6-12(8-10)16-11/h1,3,10-12,16H,2,4-9H2.
What are the key properties of 3-[(2-fluorocyclohexa-1,3-dien-1-yl)oxymethyl]-8-azabicyclo[3.2.1]octane?
3-[(2-fluorocyclohexa-1,3-dien-1-yl)oxymethyl]-8-azabicyclo[3.2.1]octane has a molecular weight of 237.32 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorocyclohexa-1,3-dien-1-yl)oxymethyl]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 70842109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).