4-[(4-fluoronaphthalen-1-yl)methyl]morpholine;hydrochloride

C15H17ClFNO — CID 165434083

IUPAC4-[(4-fluoronaphthalen-1-yl)methyl]morpholine;hydrochloride
SMILESCl.Fc1ccc(CN2CCOCC2)c2ccccc12
InChIInChI=1S/C15H16FNO.ClH/c16-15-6-5-12(11-17-7-9-18-10-8-17)13-3-1-2-4-14(13)15;/h1-6H,7-11H2;1H
InChIKeyALGZXVRCTKMOFH-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.23
Rot. Bonds2

About 4-[(4-fluoronaphthalen-1-yl)methyl]morpholine;hydrochloride

4-[(4-fluoronaphthalen-1-yl)methyl]morpholine;hydrochloride (PubChem CID 165434083) has the molecular formula C15H17ClFNO and a molecular weight of 281.76 g/mol. Its IUPAC name is 4-[(4-fluoronaphthalen-1-yl)methyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[(4-fluoronaphthalen-1-yl)methyl]morpholine;hydrochloride
PubChem CID165434083
Molecular FormulaC15H17ClFNO
Molecular Weight281.76 g/mol
Exact Mass281.10
IUPAC Name4-[(4-fluoronaphthalen-1-yl)methyl]morpholine;hydrochloride
SMILESCl.Fc1ccc(CN2CCOCC2)c2ccccc12
InChIInChI=1S/C15H16FNO.ClH/c16-15-6-5-12(11-17-7-9-18-10-8-17)13-3-1-2-4-14(13)15;/h1-6H,7-11H2;1H
InChIKeyALGZXVRCTKMOFH-UHFFFAOYSA-N
XLogP3.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoronaphthalen-1-yl)methyl]morpholine;hydrochloride?
The IUPAC name of 4-[(4-fluoronaphthalen-1-yl)methyl]morpholine;hydrochloride (CID 165434083) is 4-[(4-fluoronaphthalen-1-yl)methyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[(4-fluoronaphthalen-1-yl)methyl]morpholine;hydrochloride?
The canonical SMILES for 4-[(4-fluoronaphthalen-1-yl)methyl]morpholine;hydrochloride is Cl.Fc1ccc(CN2CCOCC2)c2ccccc12.
What is the InChIKey of 4-[(4-fluoronaphthalen-1-yl)methyl]morpholine;hydrochloride?
The InChIKey is ALGZXVRCTKMOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO.ClH/c16-15-6-5-12(11-17-7-9-18-10-8-17)13-3-1-2-4-14(13)15;/h1-6H,7-11H2;1H.
What are the key properties of 4-[(4-fluoronaphthalen-1-yl)methyl]morpholine;hydrochloride?
4-[(4-fluoronaphthalen-1-yl)methyl]morpholine;hydrochloride has a molecular weight of 281.76 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoronaphthalen-1-yl)methyl]morpholine;hydrochloride is sourced from PubChem (CID 165434083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).