5-(2,5-dimethylfuran-3-yl)-2-fluoroaniline

C12H12FNO — CID 61318814

IUPAC5-(2,5-dimethylfuran-3-yl)-2-fluoroaniline
SMILESCc1cc(-c2ccc(F)c(N)c2)c(C)o1
InChIInChI=1S/C12H12FNO/c1-7-5-10(8(2)15-7)9-3-4-11(13)12(14)6-9/h3-6H,14H2,1-2H3
InChIKeyBFWPTVPAGPQUSO-UHFFFAOYSA-N
MW205.23 g/mol
LogP3.28
Rot. Bonds1

About 5-(2,5-dimethylfuran-3-yl)-2-fluoroaniline

5-(2,5-dimethylfuran-3-yl)-2-fluoroaniline (PubChem CID 61318814) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 5-(2,5-dimethylfuran-3-yl)-2-fluoroaniline.

Molecular Properties

Compound Name5-(2,5-dimethylfuran-3-yl)-2-fluoroaniline
PubChem CID61318814
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name5-(2,5-dimethylfuran-3-yl)-2-fluoroaniline
SMILESCc1cc(-c2ccc(F)c(N)c2)c(C)o1
InChIInChI=1S/C12H12FNO/c1-7-5-10(8(2)15-7)9-3-4-11(13)12(14)6-9/h3-6H,14H2,1-2H3
InChIKeyBFWPTVPAGPQUSO-UHFFFAOYSA-N
XLogP3.28
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(2,5-dimethylfuran-3-yl)-2-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Dibenzofuranamine
CID 19405
3-(3-Furanyl)benzenamine
CID 16203332
4-(3-Furanyl)benzenamine
CID 44420988
4-Dibenzofuranamine
CID 459351
4-(1-Benzofuran-2-yl)aniline
CID 720692
3-(5-Methylfuran-2-yl)aniline
CID 793234
4-(2-Furyl)Aniline Hydrochloride
CID 4191105
6,7,8,9-Tetrahydrodibenzo[b,d]furan-4-amine hydrochloride
CID 23724372
2-Phenyl-1-benzofuran-7-amine
CID 12064788
Dibenzofuran-2,8-diamine
CID 458865
(2E)-1-(4-aminophenyl)-3-(2-furyl)prop-2-en-1-one
CID 5724701
2-[4-[5-[4-(Diaminomethylideneamino)-2-methylphenyl]furan-2-yl]-3-methylphenyl]guanidine
CID 487974

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylfuran-3-yl)-2-fluoroaniline?
The IUPAC name of 5-(2,5-dimethylfuran-3-yl)-2-fluoroaniline (CID 61318814) is 5-(2,5-dimethylfuran-3-yl)-2-fluoroaniline.
What is the SMILES notation for 5-(2,5-dimethylfuran-3-yl)-2-fluoroaniline?
The canonical SMILES for 5-(2,5-dimethylfuran-3-yl)-2-fluoroaniline is Cc1cc(-c2ccc(F)c(N)c2)c(C)o1.
What is the InChIKey of 5-(2,5-dimethylfuran-3-yl)-2-fluoroaniline?
The InChIKey is BFWPTVPAGPQUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c1-7-5-10(8(2)15-7)9-3-4-11(13)12(14)6-9/h3-6H,14H2,1-2H3.
What are the key properties of 5-(2,5-dimethylfuran-3-yl)-2-fluoroaniline?
5-(2,5-dimethylfuran-3-yl)-2-fluoroaniline has a molecular weight of 205.23 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylfuran-3-yl)-2-fluoroaniline is sourced from PubChem (CID 61318814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).