4-(6-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine;ethane

C16H23BrFNO — CID 144701369

IUPAC4-(6-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine;ethane
SMILESCC.Fc1c(Br)ccc2c1CCC(N1CCOCC1)C2
InChIInChI=1S/C14H17BrFNO.C2H6/c15-13-4-1-10-9-11(2-3-12(10)14(13)16)17-5-7-18-8-6-17;1-2/h1,4,11H,2-3,5-9H2;1-2H3
InChIKeyHEHXZTYXWLJUSG-UHFFFAOYSA-N
MW344.27 g/mol
LogP3.80
Rot. Bonds1

About 4-(6-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine;ethane

4-(6-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine;ethane (PubChem CID 144701369) has the molecular formula C16H23BrFNO and a molecular weight of 344.27 g/mol. Its IUPAC name is 4-(6-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine;ethane.

Molecular Properties

Compound Name4-(6-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine;ethane
PubChem CID144701369
Molecular FormulaC16H23BrFNO
Molecular Weight344.27 g/mol
Exact Mass343.09
IUPAC Name4-(6-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine;ethane
SMILESCC.Fc1c(Br)ccc2c1CCC(N1CCOCC1)C2
InChIInChI=1S/C14H17BrFNO.C2H6/c15-13-4-1-10-9-11(2-3-12(10)14(13)16)17-5-7-18-8-6-17;1-2/h1,4,11H,2-3,5-9H2;1-2H3
InChIKeyHEHXZTYXWLJUSG-UHFFFAOYSA-N
XLogP3.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine;ethane?
The IUPAC name of 4-(6-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine;ethane (CID 144701369) is 4-(6-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine;ethane.
What is the SMILES notation for 4-(6-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine;ethane?
The canonical SMILES for 4-(6-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine;ethane is CC.Fc1c(Br)ccc2c1CCC(N1CCOCC1)C2.
What is the InChIKey of 4-(6-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine;ethane?
The InChIKey is HEHXZTYXWLJUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO.C2H6/c15-13-4-1-10-9-11(2-3-12(10)14(13)16)17-5-7-18-8-6-17;1-2/h1,4,11H,2-3,5-9H2;1-2H3.
What are the key properties of 4-(6-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine;ethane?
4-(6-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine;ethane has a molecular weight of 344.27 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine;ethane is sourced from PubChem (CID 144701369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).