2-(difluoromethoxy)-5-thiophen-2-ylaniline

C11H9F2NOS — CID 82084631

IUPAC2-(difluoromethoxy)-5-thiophen-2-ylaniline
SMILESNc1cc(-c2cccs2)ccc1OC(F)F
InChIInChI=1S/C11H9F2NOS/c12-11(13)15-9-4-3-7(6-8(9)14)10-2-1-5-16-10/h1-6,11H,14H2
InChIKeyIXYGTGQREGSMRT-UHFFFAOYSA-N
MW241.26 g/mol
LogP3.60
Rot. Bonds3

About 2-(difluoromethoxy)-5-thiophen-2-ylaniline

2-(difluoromethoxy)-5-thiophen-2-ylaniline (PubChem CID 82084631) has the molecular formula C11H9F2NOS and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-thiophen-2-ylaniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-thiophen-2-ylaniline
PubChem CID82084631
Molecular FormulaC11H9F2NOS
Molecular Weight241.26 g/mol
Exact Mass241.04
IUPAC Name2-(difluoromethoxy)-5-thiophen-2-ylaniline
SMILESNc1cc(-c2cccs2)ccc1OC(F)F
InChIInChI=1S/C11H9F2NOS/c12-11(13)15-9-4-3-7(6-8(9)14)10-2-1-5-16-10/h1-6,11H,14H2
InChIKeyIXYGTGQREGSMRT-UHFFFAOYSA-N
XLogP3.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(5-(4-Methoxyphenyl)thiophen-2-yl)benzenamine
CID 44408839
N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 2809563
N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
CID 769044
2-Amino-4-(thiophen-2-yl)phenol
CID 59736776
5-(4-Methoxyphenyl)thiophen-3-amine
CID 101521625
5-[4-(Trifluoromethoxy)phenyl]thiophen-2-amine
CID 19014313
5-[4-(Difluoromethoxy)phenyl]thiophen-2-amine
CID 19014321
4-Methyl-5-[4-(trifluoromethoxy)phenyl]thiophen-2-amine
CID 20026745
4-[[4-(Trifluoromethoxy)phenyl]methylsulfanyl]aniline
CID 43299438
2-(2-Methylsulfanylphenoxy)-5-(trifluoromethyl)aniline
CID 53733766
2-Amino-6-fluoro-4-thiophen-2-ylphenol
CID 59737415
2-[(2-methyl-3H-thiophen-2-yl)oxy]-5-(trifluoromethyl)aniline
CID 67759550

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-thiophen-2-ylaniline?
The IUPAC name of 2-(difluoromethoxy)-5-thiophen-2-ylaniline (CID 82084631) is 2-(difluoromethoxy)-5-thiophen-2-ylaniline.
What is the SMILES notation for 2-(difluoromethoxy)-5-thiophen-2-ylaniline?
The canonical SMILES for 2-(difluoromethoxy)-5-thiophen-2-ylaniline is Nc1cc(-c2cccs2)ccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-5-thiophen-2-ylaniline?
The InChIKey is IXYGTGQREGSMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NOS/c12-11(13)15-9-4-3-7(6-8(9)14)10-2-1-5-16-10/h1-6,11H,14H2.
What are the key properties of 2-(difluoromethoxy)-5-thiophen-2-ylaniline?
2-(difluoromethoxy)-5-thiophen-2-ylaniline has a molecular weight of 241.26 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-thiophen-2-ylaniline is sourced from PubChem (CID 82084631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).