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

C11H10FNO — CID 784125

IUPAC3-fluoro-N-(furan-3-ylmethyl)aniline
SMILESFc1cccc(NCc2ccoc2)c1
InChIInChI=1S/C11H10FNO/c12-10-2-1-3-11(6-10)13-7-9-4-5-14-8-9/h1-6,8,13H,7H2
InChIKeyZWQNOZWJDMSJAH-UHFFFAOYSA-N
MW191.20 g/mol
LogP3.03
Rot. Bonds3

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

3-fluoro-N-(furan-3-ylmethyl)aniline (PubChem CID 784125) has the molecular formula C11H10FNO and a molecular weight of 191.20 g/mol. Its IUPAC name is 3-fluoro-N-(furan-3-ylmethyl)aniline.

Molecular Properties

Compound Name3-fluoro-N-(furan-3-ylmethyl)aniline
PubChem CID784125
Molecular FormulaC11H10FNO
Molecular Weight191.20 g/mol
Exact Mass191.07
IUPAC Name3-fluoro-N-(furan-3-ylmethyl)aniline
SMILESFc1cccc(NCc2ccoc2)c1
InChIInChI=1S/C11H10FNO/c12-10-2-1-3-11(6-10)13-7-9-4-5-14-8-9/h1-6,8,13H,7H2
InChIKeyZWQNOZWJDMSJAH-UHFFFAOYSA-N
XLogP3.03
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(furan-3-ylmethyl)aniline?
The IUPAC name of 3-fluoro-N-(furan-3-ylmethyl)aniline (CID 784125) is 3-fluoro-N-(furan-3-ylmethyl)aniline.
What is the SMILES notation for 3-fluoro-N-(furan-3-ylmethyl)aniline?
The canonical SMILES for 3-fluoro-N-(furan-3-ylmethyl)aniline is Fc1cccc(NCc2ccoc2)c1.
What is the InChIKey of 3-fluoro-N-(furan-3-ylmethyl)aniline?
The InChIKey is ZWQNOZWJDMSJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO/c12-10-2-1-3-11(6-10)13-7-9-4-5-14-8-9/h1-6,8,13H,7H2.
What are the key properties of 3-fluoro-N-(furan-3-ylmethyl)aniline?
3-fluoro-N-(furan-3-ylmethyl)aniline has a molecular weight of 191.20 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(furan-3-ylmethyl)aniline is sourced from PubChem (CID 784125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).