6-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane;hydrochloride

C14H17ClF3NO — CID 163218641

IUPAC6-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane;hydrochloride
SMILESCl.FC(F)(F)Oc1cccc(C2CCC3(CNC3)C2)c1
InChIInChI=1S/C14H16F3NO.ClH/c15-14(16,17)19-12-3-1-2-10(6-12)11-4-5-13(7-11)8-18-9-13;/h1-3,6,11,18H,4-5,7-9H2;1H
InChIKeyALTIAHJDOXUZHV-UHFFFAOYSA-N
MW307.74 g/mol
LogP3.86
Rot. Bonds2

About 6-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane;hydrochloride

6-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane;hydrochloride (PubChem CID 163218641) has the molecular formula C14H17ClF3NO and a molecular weight of 307.74 g/mol. Its IUPAC name is 6-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane;hydrochloride.

Molecular Properties

Compound Name6-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane;hydrochloride
PubChem CID163218641
Molecular FormulaC14H17ClF3NO
Molecular Weight307.74 g/mol
Exact Mass307.10
IUPAC Name6-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane;hydrochloride
SMILESCl.FC(F)(F)Oc1cccc(C2CCC3(CNC3)C2)c1
InChIInChI=1S/C14H16F3NO.ClH/c15-14(16,17)19-12-3-1-2-10(6-12)11-4-5-13(7-11)8-18-9-13;/h1-3,6,11,18H,4-5,7-9H2;1H
InChIKeyALTIAHJDOXUZHV-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6R)-6-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane;hydrochloride
CID 175919303
6-(3-ethylphenyl)-2-azaspiro[3.4]octane
CID 163218670
(1S,5R)-6-[3-(trifluoromethoxy)phenyl]-3-azabicyclo[3.1.0]hexane;hydrochloride
CID 166708564
6-[4-(trifluoromethyl)phenyl]-2-azaspiro[3.4]octane
CID 175706595
2-[3-(trifluoromethoxy)phenyl]adamantane
CID 91149986
2,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine
CID 81415060
bis[3-(trifluoromethoxy)phenyl]iodanium
CID 175669102
3-[3-(trifluoromethoxy)phenyl]cycloheptan-1-one
CID 64506215
6-[4-(difluoromethyl)-3-methylphenyl]-2-azaspiro[3.4]octane
CID 175711436
trans-(1R,2S)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 91657247
N-ethyl-3-[3-(trifluoromethoxy)phenyl]cyclopentan-1-amine
CID 64503099
2-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 87580183

Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane;hydrochloride?
The IUPAC name of 6-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane;hydrochloride (CID 163218641) is 6-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane;hydrochloride.
What is the SMILES notation for 6-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane;hydrochloride?
The canonical SMILES for 6-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane;hydrochloride is Cl.FC(F)(F)Oc1cccc(C2CCC3(CNC3)C2)c1.
What is the InChIKey of 6-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane;hydrochloride?
The InChIKey is ALTIAHJDOXUZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO.ClH/c15-14(16,17)19-12-3-1-2-10(6-12)11-4-5-13(7-11)8-18-9-13;/h1-3,6,11,18H,4-5,7-9H2;1H.
What are the key properties of 6-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane;hydrochloride?
6-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane;hydrochloride has a molecular weight of 307.74 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane;hydrochloride is sourced from PubChem (CID 163218641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).