[3-(5-chloro-2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol

C12H13ClFNO — CID 176563358

IUPAC[3-(5-chloro-2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESOCC1C2CN(c3cc(Cl)ccc3F)CC12
InChIInChI=1S/C12H13ClFNO/c13-7-1-2-11(14)12(3-7)15-4-8-9(5-15)10(8)6-16/h1-3,8-10,16H,4-6H2
InChIKeySESCDFZLMAMAHJ-UHFFFAOYSA-N
MW241.69 g/mol
LogP2.15
Rot. Bonds2

About [3-(5-chloro-2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol

[3-(5-chloro-2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol (PubChem CID 176563358) has the molecular formula C12H13ClFNO and a molecular weight of 241.69 g/mol. Its IUPAC name is [3-(5-chloro-2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol.

Molecular Properties

Compound Name[3-(5-chloro-2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
PubChem CID176563358
Molecular FormulaC12H13ClFNO
Molecular Weight241.69 g/mol
Exact Mass241.07
IUPAC Name[3-(5-chloro-2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESOCC1C2CN(c3cc(Cl)ccc3F)CC12
InChIInChI=1S/C12H13ClFNO/c13-7-1-2-11(14)12(3-7)15-4-8-9(5-15)10(8)6-16/h1-3,8-10,16H,4-6H2
InChIKeySESCDFZLMAMAHJ-UHFFFAOYSA-N
XLogP2.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.69
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(5-chloro-2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The IUPAC name of [3-(5-chloro-2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol (CID 176563358) is [3-(5-chloro-2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol.
What is the SMILES notation for [3-(5-chloro-2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The canonical SMILES for [3-(5-chloro-2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol is OCC1C2CN(c3cc(Cl)ccc3F)CC12.
What is the InChIKey of [3-(5-chloro-2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The InChIKey is SESCDFZLMAMAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO/c13-7-1-2-11(14)12(3-7)15-4-8-9(5-15)10(8)6-16/h1-3,8-10,16H,4-6H2.
What are the key properties of [3-(5-chloro-2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
[3-(5-chloro-2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol has a molecular weight of 241.69 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-chloro-2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol is sourced from PubChem (CID 176563358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).