6,6-difluoro-1-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride

C12H14ClF2NO — CID 142462275

IUPAC6,6-difluoro-1-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
SMILESCOc1cccc(C23CNCC2C3(F)F)c1.Cl
InChIInChI=1S/C12H13F2NO.ClH/c1-16-9-4-2-3-8(5-9)11-7-15-6-10(11)12(11,13)14;/h2-5,10,15H,6-7H2,1H3;1H
InChIKeyMUUFAWXGBACJSH-UHFFFAOYSA-N
MW261.70 g/mol
LogP2.22
Rot. Bonds2

About 6,6-difluoro-1-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride

6,6-difluoro-1-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride (PubChem CID 142462275) has the molecular formula C12H14ClF2NO and a molecular weight of 261.70 g/mol. Its IUPAC name is 6,6-difluoro-1-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride.

Molecular Properties

Compound Name6,6-difluoro-1-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
PubChem CID142462275
Molecular FormulaC12H14ClF2NO
Molecular Weight261.70 g/mol
Exact Mass261.07
IUPAC Name6,6-difluoro-1-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
SMILESCOc1cccc(C23CNCC2C3(F)F)c1.Cl
InChIInChI=1S/C12H13F2NO.ClH/c1-16-9-4-2-3-8(5-9)11-7-15-6-10(11)12(11,13)14;/h2-5,10,15H,6-7H2,1H3;1H
InChIKeyMUUFAWXGBACJSH-UHFFFAOYSA-N
XLogP2.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.70
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-fluoro-3-(3-methoxyphenyl)pyrrolidine
CID 124547155
4-(3-methoxyphenyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63939230
1,2,2,6,6-pentadeuterio-5-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
CID 169443718
1-(3-methoxyphenyl)-3-methylcyclobutan-1-amine;hydrochloride
CID 127264178
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
1-(3-methoxyphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 169149734
3-(3-methoxyphenyl)-3-methyldiaziridine
CID 167685636
3,3-difluoro-2-(3-methoxyphenyl)-2-methylpyrrolidine
CID 115035973
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
ethane;3-hydroxy-3-(3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 143857791
3-(3-methoxyphenyl)-3-(trifluoromethyl)diazirine
CID 10465882
2-(3-methoxyphenyl)-2-methylcyclopropan-1-amine
CID 62389909

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-1-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
The IUPAC name of 6,6-difluoro-1-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride (CID 142462275) is 6,6-difluoro-1-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride.
What is the SMILES notation for 6,6-difluoro-1-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
The canonical SMILES for 6,6-difluoro-1-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride is COc1cccc(C23CNCC2C3(F)F)c1.Cl.
What is the InChIKey of 6,6-difluoro-1-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
The InChIKey is MUUFAWXGBACJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO.ClH/c1-16-9-4-2-3-8(5-9)11-7-15-6-10(11)12(11,13)14;/h2-5,10,15H,6-7H2,1H3;1H.
What are the key properties of 6,6-difluoro-1-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
6,6-difluoro-1-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride has a molecular weight of 261.70 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-1-(3-methoxyphenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride is sourced from PubChem (CID 142462275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).