2-(2-fluorobutoxy)-N'-[(2-fluorophenyl)methyl]ethanimidamide

C13H18F2N2O — CID 123610723

IUPAC2-(2-fluorobutoxy)-N'-[(2-fluorophenyl)methyl]ethanimidamide
SMILESCCC(F)COC/C(N)=N\Cc1ccccc1F
InChIInChI=1S/C13H18F2N2O/c1-2-11(14)8-18-9-13(16)17-7-10-5-3-4-6-12(10)15/h3-6,11H,2,7-9H2,1H3,(H2,16,17)
InChIKeyRWQHNUVSTPEMAF-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.45
Rot. Bonds7

About 2-(2-fluorobutoxy)-N'-[(2-fluorophenyl)methyl]ethanimidamide

2-(2-fluorobutoxy)-N'-[(2-fluorophenyl)methyl]ethanimidamide (PubChem CID 123610723) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(2-fluorobutoxy)-N'-[(2-fluorophenyl)methyl]ethanimidamide.

Molecular Properties

Compound Name2-(2-fluorobutoxy)-N'-[(2-fluorophenyl)methyl]ethanimidamide
PubChem CID123610723
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-(2-fluorobutoxy)-N'-[(2-fluorophenyl)methyl]ethanimidamide
SMILESCCC(F)COC/C(N)=N\Cc1ccccc1F
InChIInChI=1S/C13H18F2N2O/c1-2-11(14)8-18-9-13(16)17-7-10-5-3-4-6-12(10)15/h3-6,11H,2,7-9H2,1H3,(H2,16,17)
InChIKeyRWQHNUVSTPEMAF-UHFFFAOYSA-N
XLogP2.45
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-benzyl-2-hydroxyethanimidamide;hydrochloride
CID 90668670
N'-[(4-fluorophenyl)methyl]ethanimidamide;hydrobromide
CID 156021996
N'-(2,2-Diethoxyethyl)-4-fluorobenzene-1-carboximidamide
CID 18625665
2,2-difluoro-N'-[(4-fluorophenyl)methyl]ethanimidamide
CID 58152712
(R)-5-ethyl-6,6-difluoro-5-(2-fluoro-phenyl)-2,5,6,7-tetrahydro-[1,4]oxazepin-3-ylamine
CID 58563057
(5R,6R)-6-fluoro-5-(2-fluorophenyl)-5-methyl-2,5,6,7-tetrahydro-1,4-oxazepin-3-amine
CID 58563136
N'-[(4-fluorophenyl)methyl]ethanimidamide
CID 63173653
3,5-difluoro-N'-(2-methoxyethyl)benzenecarboximidamide
CID 63181369
2,2-Diethoxy-N-(3-fluorobenzyl)acetimidamide
CID 66724696
5-Ethyl-6,6-difluoro-5-(2-fluorophenyl)-2,7-dihydro-1,4-oxazepin-3-amine
CID 67468726
(2R)-2-[(4-fluorophenyl)methyl]-2,5-dihydro-1,3-oxazol-4-amine
CID 68176680
(5R)-6,6-difluoro-5-(2-fluorophenyl)-5-methyl-2,7-dihydro-1,4-oxazepin-3-amine
CID 68282943

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorobutoxy)-N'-[(2-fluorophenyl)methyl]ethanimidamide?
The IUPAC name of 2-(2-fluorobutoxy)-N'-[(2-fluorophenyl)methyl]ethanimidamide (CID 123610723) is 2-(2-fluorobutoxy)-N'-[(2-fluorophenyl)methyl]ethanimidamide.
What is the SMILES notation for 2-(2-fluorobutoxy)-N'-[(2-fluorophenyl)methyl]ethanimidamide?
The canonical SMILES for 2-(2-fluorobutoxy)-N'-[(2-fluorophenyl)methyl]ethanimidamide is CCC(F)COC/C(N)=N\Cc1ccccc1F.
What is the InChIKey of 2-(2-fluorobutoxy)-N'-[(2-fluorophenyl)methyl]ethanimidamide?
The InChIKey is RWQHNUVSTPEMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-2-11(14)8-18-9-13(16)17-7-10-5-3-4-6-12(10)15/h3-6,11H,2,7-9H2,1H3,(H2,16,17).
What are the key properties of 2-(2-fluorobutoxy)-N'-[(2-fluorophenyl)methyl]ethanimidamide?
2-(2-fluorobutoxy)-N'-[(2-fluorophenyl)methyl]ethanimidamide has a molecular weight of 256.30 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorobutoxy)-N'-[(2-fluorophenyl)methyl]ethanimidamide is sourced from PubChem (CID 123610723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).