4-(3-bromophenyl)-4-(difluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hexane

C11H10BrF2NO — CID 142728347

IUPAC4-(3-bromophenyl)-4-(difluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hexane
SMILESFC(F)C1(c2cccc(Br)c2)NOC2CC21
InChIInChI=1S/C11H10BrF2NO/c12-7-3-1-2-6(4-7)11(10(13)14)8-5-9(8)16-15-11/h1-4,8-10,15H,5H2
InChIKeyAESMFCYCOZLEJS-UHFFFAOYSA-N
MW290.11 g/mol
LogP2.83
Rot. Bonds2

About 4-(3-bromophenyl)-4-(difluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hexane

4-(3-bromophenyl)-4-(difluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hexane (PubChem CID 142728347) has the molecular formula C11H10BrF2NO and a molecular weight of 290.11 g/mol. Its IUPAC name is 4-(3-bromophenyl)-4-(difluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name4-(3-bromophenyl)-4-(difluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hexane
PubChem CID142728347
Molecular FormulaC11H10BrF2NO
Molecular Weight290.11 g/mol
Exact Mass288.99
IUPAC Name4-(3-bromophenyl)-4-(difluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hexane
SMILESFC(F)C1(c2cccc(Br)c2)NOC2CC21
InChIInChI=1S/C11H10BrF2NO/c12-7-3-1-2-6(4-7)11(10(13)14)8-5-9(8)16-15-11/h1-4,8-10,15H,5H2
InChIKeyAESMFCYCOZLEJS-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(difluoromethyl)-4-(3-fluoro-2-methylphenyl)-2-oxa-3-azabicyclo[3.1.0]hexane
CID 90389378
(1R,5S,6R)-5-(3-bromophenyl)-5-(trifluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-3-amine
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1,3-bis(3-bromophenyl)adamantane
CID 13449972
1-bromo-3-[1-(1-methoxyethyl)cyclopropyl]benzene
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CID 130363609
1-(3-bromophenyl)cyclopropan-1-amine
CID 11127564
1-bromo-3-[1-(trifluoromethyl)cyclopropyl]benzene
CID 86277431
2-[1-(3-bromophenyl)-3-(difluoromethoxy)cyclobutyl]-1H-imidazole
CID 170736964
2-(3-bromophenyl)-3-fluoro-2-methylpyrrolidine;hydrochloride
CID 115053306
2-(3-bromophenyl)-2,5-dimethyl-1,3-oxazolidine
CID 117229092
2-(3-bromophenyl)-2,4-dimethyl-1,3-oxazolidine
CID 117228454
[2-(3-bromophenyl)azetidin-2-yl]methanamine
CID 115059263

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-4-(difluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 4-(3-bromophenyl)-4-(difluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hexane (CID 142728347) is 4-(3-bromophenyl)-4-(difluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 4-(3-bromophenyl)-4-(difluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 4-(3-bromophenyl)-4-(difluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hexane is FC(F)C1(c2cccc(Br)c2)NOC2CC21.
What is the InChIKey of 4-(3-bromophenyl)-4-(difluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hexane?
The InChIKey is AESMFCYCOZLEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF2NO/c12-7-3-1-2-6(4-7)11(10(13)14)8-5-9(8)16-15-11/h1-4,8-10,15H,5H2.
What are the key properties of 4-(3-bromophenyl)-4-(difluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hexane?
4-(3-bromophenyl)-4-(difluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hexane has a molecular weight of 290.11 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-4-(difluoromethyl)-2-oxa-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 142728347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).