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

C14H17BrFNO — CID 90414598

IUPAC4-(6-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine
SMILESFc1c(Br)ccc2c1CCC(N1CCOCC1)C2
InChIInChI=1S/C14H17BrFNO/c15-13-4-1-10-9-11(2-3-12(10)14(13)16)17-5-7-18-8-6-17/h1,4,11H,2-3,5-9H2
InChIKeyGVYLRBFPTLIYNU-UHFFFAOYSA-N
MW314.20 g/mol
LogP2.78
Rot. Bonds1

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

4-(6-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine (PubChem CID 90414598) has the molecular formula C14H17BrFNO and a molecular weight of 314.20 g/mol. Its IUPAC name is 4-(6-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine.

Molecular Properties

Compound Name4-(6-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine
PubChem CID90414598
Molecular FormulaC14H17BrFNO
Molecular Weight314.20 g/mol
Exact Mass313.05
IUPAC Name4-(6-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine
SMILESFc1c(Br)ccc2c1CCC(N1CCOCC1)C2
InChIInChI=1S/C14H17BrFNO/c15-13-4-1-10-9-11(2-3-12(10)14(13)16)17-5-7-18-8-6-17/h1,4,11H,2-3,5-9H2
InChIKeyGVYLRBFPTLIYNU-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 52.78
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?
The IUPAC name of 4-(6-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine (CID 90414598) is 4-(6-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine.
What is the SMILES notation for 4-(6-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine?
The canonical SMILES for 4-(6-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine is Fc1c(Br)ccc2c1CCC(N1CCOCC1)C2.
What is the InChIKey of 4-(6-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine?
The InChIKey is GVYLRBFPTLIYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO/c15-13-4-1-10-9-11(2-3-12(10)14(13)16)17-5-7-18-8-6-17/h1,4,11H,2-3,5-9H2.
What are the key properties of 4-(6-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine?
4-(6-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)morpholine has a molecular weight of 314.20 g/mol, XLogP of 2.78, 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 is sourced from PubChem (CID 90414598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).