6-[(2-fluorophenyl)methyl]-1,4-oxazepan-6-ol;hydrochloride

C12H17ClFNO2 — CID 68534671

IUPAC6-[(2-fluorophenyl)methyl]-1,4-oxazepan-6-ol;hydrochloride
SMILESCl.OC1(Cc2ccccc2F)CNCCOC1
InChIInChI=1S/C12H16FNO2.ClH/c13-11-4-2-1-3-10(11)7-12(15)8-14-5-6-16-9-12;/h1-4,14-15H,5-9H2;1H
InChIKeyUSRFRZOZJSXJDG-UHFFFAOYSA-N
MW261.72 g/mol
LogP1.14
Rot. Bonds2

About 6-[(2-fluorophenyl)methyl]-1,4-oxazepan-6-ol;hydrochloride

6-[(2-fluorophenyl)methyl]-1,4-oxazepan-6-ol;hydrochloride (PubChem CID 68534671) has the molecular formula C12H17ClFNO2 and a molecular weight of 261.72 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methyl]-1,4-oxazepan-6-ol;hydrochloride.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methyl]-1,4-oxazepan-6-ol;hydrochloride
PubChem CID68534671
Molecular FormulaC12H17ClFNO2
Molecular Weight261.72 g/mol
Exact Mass261.09
IUPAC Name6-[(2-fluorophenyl)methyl]-1,4-oxazepan-6-ol;hydrochloride
SMILESCl.OC1(Cc2ccccc2F)CNCCOC1
InChIInChI=1S/C12H16FNO2.ClH/c13-11-4-2-1-3-10(11)7-12(15)8-14-5-6-16-9-12;/h1-4,14-15H,5-9H2;1H
InChIKeyUSRFRZOZJSXJDG-UHFFFAOYSA-N
XLogP1.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.72
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methyl]-1,4-oxazepan-6-ol;hydrochloride?
The IUPAC name of 6-[(2-fluorophenyl)methyl]-1,4-oxazepan-6-ol;hydrochloride (CID 68534671) is 6-[(2-fluorophenyl)methyl]-1,4-oxazepan-6-ol;hydrochloride.
What is the SMILES notation for 6-[(2-fluorophenyl)methyl]-1,4-oxazepan-6-ol;hydrochloride?
The canonical SMILES for 6-[(2-fluorophenyl)methyl]-1,4-oxazepan-6-ol;hydrochloride is Cl.OC1(Cc2ccccc2F)CNCCOC1.
What is the InChIKey of 6-[(2-fluorophenyl)methyl]-1,4-oxazepan-6-ol;hydrochloride?
The InChIKey is USRFRZOZJSXJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2.ClH/c13-11-4-2-1-3-10(11)7-12(15)8-14-5-6-16-9-12;/h1-4,14-15H,5-9H2;1H.
What are the key properties of 6-[(2-fluorophenyl)methyl]-1,4-oxazepan-6-ol;hydrochloride?
6-[(2-fluorophenyl)methyl]-1,4-oxazepan-6-ol;hydrochloride has a molecular weight of 261.72 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methyl]-1,4-oxazepan-6-ol;hydrochloride is sourced from PubChem (CID 68534671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).