6-[(2-fluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane

C12H14FNO — CID 83820223

IUPAC6-[(2-fluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane
SMILESFc1ccccc1OCC1C2CNCC21
InChIInChI=1S/C12H14FNO/c13-11-3-1-2-4-12(11)15-7-10-8-5-14-6-9(8)10/h1-4,8-10,14H,5-7H2
InChIKeyPPUFOPXDUFTZAI-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.67
Rot. Bonds3

About 6-[(2-fluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane

6-[(2-fluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 83820223) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 6-[(2-fluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-[(2-fluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane
PubChem CID83820223
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name6-[(2-fluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane
SMILESFc1ccccc1OCC1C2CNCC21
InChIInChI=1S/C12H14FNO/c13-11-3-1-2-4-12(11)15-7-10-8-5-14-6-9(8)10/h1-4,8-10,14H,5-7H2
InChIKeyPPUFOPXDUFTZAI-UHFFFAOYSA-N
XLogP1.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(2-chlorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane
CID 83823125
(3S)-3-[(2-fluorophenoxy)methyl]pyrrolidine
CID 86316087
difluoromethane;3-[(2-fluorophenoxy)methyl]piperidine
CID 166104221
(1S,5R)-N-[1-(2-fluorophenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 86294066
N-ethyl-N-[2-(2-fluorophenoxy)ethyl]azetidin-3-amine
CID 66184304
2-[(2-fluorophenoxy)methyl]-2,3-dihydro-1H-indole
CID 115104070
6-[(3,5-difluoro-2-pyridinyl)oxymethyl]-3-azabicyclo[3.1.0]hexane;hydrochloride
CID 166104225
N-[2-(2-fluorophenoxy)ethyl]-N-propylazetidin-3-amine
CID 66215915
3-[2-(2-fluorophenoxy)ethyl]pyrrolidine;hydrochloride
CID 146064557
3-[(2-fluorophenoxy)methyl]oxolane
CID 60773526
5-[(2-fluorophenoxy)methyl]oxolane-2-carboxylic acid
CID 62299212
3-[(2-phenylmethoxyphenoxy)methyl]azetidine
CID 164512457

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6-[(2-fluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane (CID 83820223) is 6-[(2-fluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-[(2-fluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6-[(2-fluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane is Fc1ccccc1OCC1C2CNCC21.
What is the InChIKey of 6-[(2-fluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is PPUFOPXDUFTZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c13-11-3-1-2-4-12(11)15-7-10-8-5-14-6-9(8)10/h1-4,8-10,14H,5-7H2.
What are the key properties of 6-[(2-fluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane?
6-[(2-fluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 207.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 83820223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).