3-(5-chlorothiophen-2-yl)-4-fluoroaniline

C10H7ClFNS — CID 61317802

IUPAC3-(5-chlorothiophen-2-yl)-4-fluoroaniline
SMILESNc1ccc(F)c(-c2ccc(Cl)s2)c1
InChIInChI=1S/C10H7ClFNS/c11-10-4-3-9(14-10)7-5-6(13)1-2-8(7)12/h1-5H,13H2
InChIKeyATOXHEDIPKIUTH-UHFFFAOYSA-N
MW227.69 g/mol
LogP3.79
Rot. Bonds1

About 3-(5-chlorothiophen-2-yl)-4-fluoroaniline

3-(5-chlorothiophen-2-yl)-4-fluoroaniline (PubChem CID 61317802) has the molecular formula C10H7ClFNS and a molecular weight of 227.69 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-4-fluoroaniline.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-4-fluoroaniline
PubChem CID61317802
Molecular FormulaC10H7ClFNS
Molecular Weight227.69 g/mol
Exact Mass227.00
IUPAC Name3-(5-chlorothiophen-2-yl)-4-fluoroaniline
SMILESNc1ccc(F)c(-c2ccc(Cl)s2)c1
InChIInChI=1S/C10H7ClFNS/c11-10-4-3-9(14-10)7-5-6(13)1-2-8(7)12/h1-5H,13H2
InChIKeyATOXHEDIPKIUTH-UHFFFAOYSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 53.79
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

5-chloro-N-(5-fluoro-2-methylphenyl)thiophene-2-sulfonamide
CID 2567860
3-(Thiophen-2-yl)aniline
CID 2794681
2-(4-Chlorophenyl)thiophen-3-amine
CID 18925404
2,5-dichloro-N-(5-fluoro-2-methylphenyl)thiophene-3-sulfonamide
CID 17447221
2-(4-Chlorophenyl)thiophen-3-amine hydrochloride
CID 56601035
3-Fluoro-4-(thiophen-2-yl)aniline
CID 61679103
3-Fluoro-4-(5-methylthiophen-2-yl)aniline
CID 61679104
5-(4-Chlorophenyl)thiophen-3-amine
CID 20026738
3-(5-Methylthiophen-2-yl)aniline
CID 20632759
3-(5-Chloro-2-thienyl)benzenamine
CID 22724175
2,5-dichloro-N-[3-fluoro-5-(trifluoromethyl)phenyl]thiophene-3-sulfonamide
CID 3776133
4-Chloro-2-fluoro-5-(phenylsulfanylmethyl)aniline
CID 19047144

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-4-fluoroaniline?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-4-fluoroaniline (CID 61317802) is 3-(5-chlorothiophen-2-yl)-4-fluoroaniline.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-4-fluoroaniline?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-4-fluoroaniline is Nc1ccc(F)c(-c2ccc(Cl)s2)c1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-4-fluoroaniline?
The InChIKey is ATOXHEDIPKIUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNS/c11-10-4-3-9(14-10)7-5-6(13)1-2-8(7)12/h1-5H,13H2.
What are the key properties of 3-(5-chlorothiophen-2-yl)-4-fluoroaniline?
3-(5-chlorothiophen-2-yl)-4-fluoroaniline has a molecular weight of 227.69 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-4-fluoroaniline is sourced from PubChem (CID 61317802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).