3-chloro-2-fluoro-N-(furan-3-ylmethyl)aniline

C11H9ClFNO — CID 63204297

IUPAC3-chloro-2-fluoro-N-(furan-3-ylmethyl)aniline
SMILESFc1c(Cl)cccc1NCc1ccoc1
InChIInChI=1S/C11H9ClFNO/c12-9-2-1-3-10(11(9)13)14-6-8-4-5-15-7-8/h1-5,7,14H,6H2
InChIKeyJMZLZXKIEKCDGI-UHFFFAOYSA-N
MW225.65 g/mol
LogP3.68
Rot. Bonds3

About 3-chloro-2-fluoro-N-(furan-3-ylmethyl)aniline

3-chloro-2-fluoro-N-(furan-3-ylmethyl)aniline (PubChem CID 63204297) has the molecular formula C11H9ClFNO and a molecular weight of 225.65 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-(furan-3-ylmethyl)aniline.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-(furan-3-ylmethyl)aniline
PubChem CID63204297
Molecular FormulaC11H9ClFNO
Molecular Weight225.65 g/mol
Exact Mass225.04
IUPAC Name3-chloro-2-fluoro-N-(furan-3-ylmethyl)aniline
SMILESFc1c(Cl)cccc1NCc1ccoc1
InChIInChI=1S/C11H9ClFNO/c12-9-2-1-3-10(11(9)13)14-6-8-4-5-15-7-8/h1-5,7,14H,6H2
InChIKeyJMZLZXKIEKCDGI-UHFFFAOYSA-N
XLogP3.68
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-(furan-3-ylmethyl)aniline?
The IUPAC name of 3-chloro-2-fluoro-N-(furan-3-ylmethyl)aniline (CID 63204297) is 3-chloro-2-fluoro-N-(furan-3-ylmethyl)aniline.
What is the SMILES notation for 3-chloro-2-fluoro-N-(furan-3-ylmethyl)aniline?
The canonical SMILES for 3-chloro-2-fluoro-N-(furan-3-ylmethyl)aniline is Fc1c(Cl)cccc1NCc1ccoc1.
What is the InChIKey of 3-chloro-2-fluoro-N-(furan-3-ylmethyl)aniline?
The InChIKey is JMZLZXKIEKCDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO/c12-9-2-1-3-10(11(9)13)14-6-8-4-5-15-7-8/h1-5,7,14H,6H2.
What are the key properties of 3-chloro-2-fluoro-N-(furan-3-ylmethyl)aniline?
3-chloro-2-fluoro-N-(furan-3-ylmethyl)aniline has a molecular weight of 225.65 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-(furan-3-ylmethyl)aniline is sourced from PubChem (CID 63204297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).