4-fluoro-3-(furan-3-yl)aniline

C10H8FNO — CID 66878166

IUPAC4-fluoro-3-(furan-3-yl)aniline
SMILESNc1ccc(F)c(-c2ccoc2)c1
InChIInChI=1S/C10H8FNO/c11-10-2-1-8(12)5-9(10)7-3-4-13-6-7/h1-6H,12H2
InChIKeyXUCUXEACXWTQAP-UHFFFAOYSA-N
MW177.18 g/mol
LogP2.67
Rot. Bonds1

About 4-fluoro-3-(furan-3-yl)aniline

4-fluoro-3-(furan-3-yl)aniline (PubChem CID 66878166) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 4-fluoro-3-(furan-3-yl)aniline.

Molecular Properties

Compound Name4-fluoro-3-(furan-3-yl)aniline
PubChem CID66878166
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name4-fluoro-3-(furan-3-yl)aniline
SMILESNc1ccc(F)c(-c2ccoc2)c1
InChIInChI=1S/C10H8FNO/c11-10-2-1-8(12)5-9(10)7-3-4-13-6-7/h1-6H,12H2
InChIKeyXUCUXEACXWTQAP-UHFFFAOYSA-N
XLogP2.67
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-Furanyl)benzenamine
CID 16203332
4-(3-Furanyl)benzenamine
CID 44420988
3-(5-Methylfuran-2-yl)aniline
CID 793234
4-(2-Furyl)Aniline Hydrochloride
CID 4191105
5-Amino-2-(2-furylmethylene)-1-indanone
CID 763676
1-Benzofuran-5-amine
CID 1477152
(2E)-1-(4-aminophenyl)-3-(2-furyl)prop-2-en-1-one
CID 5724701
4-(5-Methylfuran-2-yl)aniline
CID 793233
2,3-Dimethyl-1-benzofuran-5-amine
CID 12445383
Benzofuran-7-amine
CID 11217277
(E)-1-(2-aminophenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 14929509
6,7,8,9-Tetrahydro-dibenzofuran-2-ylamine
CID 2794782

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(furan-3-yl)aniline?
The IUPAC name of 4-fluoro-3-(furan-3-yl)aniline (CID 66878166) is 4-fluoro-3-(furan-3-yl)aniline.
What is the SMILES notation for 4-fluoro-3-(furan-3-yl)aniline?
The canonical SMILES for 4-fluoro-3-(furan-3-yl)aniline is Nc1ccc(F)c(-c2ccoc2)c1.
What is the InChIKey of 4-fluoro-3-(furan-3-yl)aniline?
The InChIKey is XUCUXEACXWTQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c11-10-2-1-8(12)5-9(10)7-3-4-13-6-7/h1-6H,12H2.
What are the key properties of 4-fluoro-3-(furan-3-yl)aniline?
4-fluoro-3-(furan-3-yl)aniline has a molecular weight of 177.18 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(furan-3-yl)aniline is sourced from PubChem (CID 66878166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).