2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)ethanamine

C12H11ClFNO — CID 22299260

IUPAC2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)ethanamine
SMILESNC(Cc1c(F)cccc1Cl)c1ccco1
InChIInChI=1S/C12H11ClFNO/c13-9-3-1-4-10(14)8(9)7-11(15)12-5-2-6-16-12/h1-6,11H,7,15H2
InChIKeyVJGMROYDQJSOLS-UHFFFAOYSA-N
MW239.68 g/mol
LogP3.31
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)ethanamine

2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)ethanamine (PubChem CID 22299260) has the molecular formula C12H11ClFNO and a molecular weight of 239.68 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)ethanamine
PubChem CID22299260
Molecular FormulaC12H11ClFNO
Molecular Weight239.68 g/mol
Exact Mass239.05
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)ethanamine
SMILESNC(Cc1c(F)cccc1Cl)c1ccco1
InChIInChI=1S/C12H11ClFNO/c13-9-3-1-4-10(14)8(9)7-11(15)12-5-2-6-16-12/h1-6,11H,7,15H2
InChIKeyVJGMROYDQJSOLS-UHFFFAOYSA-N
XLogP3.31
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)ethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)ethanamine (CID 22299260) is 2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)ethanamine is NC(Cc1c(F)cccc1Cl)c1ccco1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)ethanamine?
The InChIKey is VJGMROYDQJSOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO/c13-9-3-1-4-10(14)8(9)7-11(15)12-5-2-6-16-12/h1-6,11H,7,15H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)ethanamine?
2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)ethanamine has a molecular weight of 239.68 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 22299260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).