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

C11H9ClFNO — CID 63204357

IUPAC4-chloro-3-fluoro-N-(furan-3-ylmethyl)aniline
SMILESFc1cc(NCc2ccoc2)ccc1Cl
InChIInChI=1S/C11H9ClFNO/c12-10-2-1-9(5-11(10)13)14-6-8-3-4-15-7-8/h1-5,7,14H,6H2
InChIKeyVLHJFXXVMAMTNZ-UHFFFAOYSA-N
MW225.65 g/mol
LogP3.68
Rot. Bonds3

About 4-chloro-3-fluoro-N-(furan-3-ylmethyl)aniline

4-chloro-3-fluoro-N-(furan-3-ylmethyl)aniline (PubChem CID 63204357) has the molecular formula C11H9ClFNO and a molecular weight of 225.65 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-(furan-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-(furan-3-ylmethyl)aniline
PubChem CID63204357
Molecular FormulaC11H9ClFNO
Molecular Weight225.65 g/mol
Exact Mass225.04
IUPAC Name4-chloro-3-fluoro-N-(furan-3-ylmethyl)aniline
SMILESFc1cc(NCc2ccoc2)ccc1Cl
InChIInChI=1S/C11H9ClFNO/c12-10-2-1-9(5-11(10)13)14-6-8-3-4-15-7-8/h1-5,7,14H,6H2
InChIKeyVLHJFXXVMAMTNZ-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 4-chloro-3-fluoro-N-(furan-3-ylmethyl)aniline?
The IUPAC name of 4-chloro-3-fluoro-N-(furan-3-ylmethyl)aniline (CID 63204357) is 4-chloro-3-fluoro-N-(furan-3-ylmethyl)aniline.
What is the SMILES notation for 4-chloro-3-fluoro-N-(furan-3-ylmethyl)aniline?
The canonical SMILES for 4-chloro-3-fluoro-N-(furan-3-ylmethyl)aniline is Fc1cc(NCc2ccoc2)ccc1Cl.
What is the InChIKey of 4-chloro-3-fluoro-N-(furan-3-ylmethyl)aniline?
The InChIKey is VLHJFXXVMAMTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO/c12-10-2-1-9(5-11(10)13)14-6-8-3-4-15-7-8/h1-5,7,14H,6H2.
What are the key properties of 4-chloro-3-fluoro-N-(furan-3-ylmethyl)aniline?
4-chloro-3-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 4-chloro-3-fluoro-N-(furan-3-ylmethyl)aniline is sourced from PubChem (CID 63204357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).