5-fluoro-2-methylazepane;hydrochloride

C7H15ClFN — CID 166141634

IUPAC5-fluoro-2-methylazepane;hydrochloride
SMILESCC1CCC(F)CCN1.Cl
InChIInChI=1S/C7H14FN.ClH/c1-6-2-3-7(8)4-5-9-6;/h6-7,9H,2-5H2,1H3;1H
InChIKeyMDZCPJCDTJLWIT-UHFFFAOYSA-N
MW167.65 g/mol
LogP1.91
Rot. Bonds

About 5-fluoro-2-methylazepane;hydrochloride

5-fluoro-2-methylazepane;hydrochloride (PubChem CID 166141634) has the molecular formula C7H15ClFN and a molecular weight of 167.65 g/mol. Its IUPAC name is 5-fluoro-2-methylazepane;hydrochloride.

Molecular Properties

Compound Name5-fluoro-2-methylazepane;hydrochloride
PubChem CID166141634
Molecular FormulaC7H15ClFN
Molecular Weight167.65 g/mol
Exact Mass167.09
IUPAC Name5-fluoro-2-methylazepane;hydrochloride
SMILESCC1CCC(F)CCN1.Cl
InChIInChI=1S/C7H14FN.ClH/c1-6-2-3-7(8)4-5-9-6;/h6-7,9H,2-5H2,1H3;1H
InChIKeyMDZCPJCDTJLWIT-UHFFFAOYSA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.65
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methylazepane;hydrochloride?
The IUPAC name of 5-fluoro-2-methylazepane;hydrochloride (CID 166141634) is 5-fluoro-2-methylazepane;hydrochloride.
What is the SMILES notation for 5-fluoro-2-methylazepane;hydrochloride?
The canonical SMILES for 5-fluoro-2-methylazepane;hydrochloride is CC1CCC(F)CCN1.Cl.
What is the InChIKey of 5-fluoro-2-methylazepane;hydrochloride?
The InChIKey is MDZCPJCDTJLWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN.ClH/c1-6-2-3-7(8)4-5-9-6;/h6-7,9H,2-5H2,1H3;1H.
What are the key properties of 5-fluoro-2-methylazepane;hydrochloride?
5-fluoro-2-methylazepane;hydrochloride has a molecular weight of 167.65 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methylazepane;hydrochloride is sourced from PubChem (CID 166141634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).