2-fluoro-6-azaspiro[3.4]octane;hydrochloride

C7H13ClFN — CID 138106139

IUPAC2-fluoro-6-azaspiro[3.4]octane;hydrochloride
SMILESCl.FC1CC2(CCNC2)C1
InChIInChI=1S/C7H12FN.ClH/c8-6-3-7(4-6)1-2-9-5-7;/h6,9H,1-5H2;1H
InChIKeyKDVCINFPUXSSBP-UHFFFAOYSA-N
MW165.64 g/mol
LogP1.52
Rot. Bonds

About 2-fluoro-6-azaspiro[3.4]octane;hydrochloride

2-fluoro-6-azaspiro[3.4]octane;hydrochloride (PubChem CID 138106139) has the molecular formula C7H13ClFN and a molecular weight of 165.64 g/mol. Its IUPAC name is 2-fluoro-6-azaspiro[3.4]octane;hydrochloride.

Molecular Properties

Compound Name2-fluoro-6-azaspiro[3.4]octane;hydrochloride
PubChem CID138106139
Molecular FormulaC7H13ClFN
Molecular Weight165.64 g/mol
Exact Mass165.07
IUPAC Name2-fluoro-6-azaspiro[3.4]octane;hydrochloride
SMILESCl.FC1CC2(CCNC2)C1
InChIInChI=1S/C7H12FN.ClH/c8-6-3-7(4-6)1-2-9-5-7;/h6,9H,1-5H2;1H
InChIKeyKDVCINFPUXSSBP-UHFFFAOYSA-N
XLogP1.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.64
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-Aza-spiro[3.4]octane
CID 20521843
6-Azaspiro[3.4]octane hydrochloride
CID 71743979
2,2-Difluoro-6-azaspiro(3.4)octane;hydrochloride
CID 146082221
8,8-Difluoro-6-azaspiro[3.4]octane hydrochloride
CID 155289930
7-(Trifluoromethyl)-6-azaspiro[3.4]octane hydrochloride
CID 137990914
8-(Difluoromethyl)-6-azaspiro[3.4]octane
CID 146155401
8-(Trifluoromethyl)-6-azaspiro(3.4)octane hydrochloride
CID 165767739
(7S)-2,2-difluoro-7-methyl-6-azaspiro(3.4)octane hydrochloride
CID 165885107
2-Methyl-6-azaspiro(3.4)octane hydrochloride
CID 165991220
(7R)-2,2-difluoro-7-methyl-6-azaspiro[3.4]octane hydrochloride
CID 167736101
3-(3-Fluoropropyl)pyrrolidine
CID 18337168
3-Fluoro-3-propylpyrrolidine
CID 83815033

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-azaspiro[3.4]octane;hydrochloride?
The IUPAC name of 2-fluoro-6-azaspiro[3.4]octane;hydrochloride (CID 138106139) is 2-fluoro-6-azaspiro[3.4]octane;hydrochloride.
What is the SMILES notation for 2-fluoro-6-azaspiro[3.4]octane;hydrochloride?
The canonical SMILES for 2-fluoro-6-azaspiro[3.4]octane;hydrochloride is Cl.FC1CC2(CCNC2)C1.
What is the InChIKey of 2-fluoro-6-azaspiro[3.4]octane;hydrochloride?
The InChIKey is KDVCINFPUXSSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN.ClH/c8-6-3-7(4-6)1-2-9-5-7;/h6,9H,1-5H2;1H.
What are the key properties of 2-fluoro-6-azaspiro[3.4]octane;hydrochloride?
2-fluoro-6-azaspiro[3.4]octane;hydrochloride has a molecular weight of 165.64 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-azaspiro[3.4]octane;hydrochloride is sourced from PubChem (CID 138106139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).