4-[(5-bromothiophen-2-yl)-difluoromethyl]aniline

C11H8BrF2NS — CID 116840064

IUPAC4-[(5-bromothiophen-2-yl)-difluoromethyl]aniline
SMILESNc1ccc(C(F)(F)c2ccc(Br)s2)cc1
InChIInChI=1S/C11H8BrF2NS/c12-10-6-5-9(16-10)11(13,14)7-1-3-8(15)4-2-7/h1-6H,15H2
InChIKeyHSQGYRXCIMDOHY-UHFFFAOYSA-N
MW304.16 g/mol
LogP4.23
Rot. Bonds2

About 4-[(5-bromothiophen-2-yl)-difluoromethyl]aniline

4-[(5-bromothiophen-2-yl)-difluoromethyl]aniline (PubChem CID 116840064) has the molecular formula C11H8BrF2NS and a molecular weight of 304.16 g/mol. Its IUPAC name is 4-[(5-bromothiophen-2-yl)-difluoromethyl]aniline.

Molecular Properties

Compound Name4-[(5-bromothiophen-2-yl)-difluoromethyl]aniline
PubChem CID116840064
Molecular FormulaC11H8BrF2NS
Molecular Weight304.16 g/mol
Exact Mass302.95
IUPAC Name4-[(5-bromothiophen-2-yl)-difluoromethyl]aniline
SMILESNc1ccc(C(F)(F)c2ccc(Br)s2)cc1
InChIInChI=1S/C11H8BrF2NS/c12-10-6-5-9(16-10)11(13,14)7-1-3-8(15)4-2-7/h1-6H,15H2
InChIKeyHSQGYRXCIMDOHY-UHFFFAOYSA-N
XLogP4.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 54.23
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

4-(5-(4-Aminophenyl)thiophen-2-yl)benzenamine
CID 21788024
4-(Thiophen-2-yl)aniline
CID 1072474
4-(Thiophen-3-yl)aniline
CID 4130336
4-Phenyl-5-(trifluoromethyl)thiophen-3-amine
CID 2782905
3-Fluoro-4-(thiophen-2-yl)aniline
CID 61679103
3-Fluoro-4-(5-methylthiophen-2-yl)aniline
CID 61679104
4-(5-Methylthiophen-2-yl)aniline
CID 22954379
5-bromo-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 1304721
5-bromo-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 2211227
4-[2-(4-Fluorophenyl)-5-(trifluoromethyl)thiophen-3-yl]aniline
CID 23372761
4,5-Dibromo-N-[4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 60036626
2-(5-Methyl-2-thienyl)-5-(trifluoromethyl)benzenamine
CID 61318406

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromothiophen-2-yl)-difluoromethyl]aniline?
The IUPAC name of 4-[(5-bromothiophen-2-yl)-difluoromethyl]aniline (CID 116840064) is 4-[(5-bromothiophen-2-yl)-difluoromethyl]aniline.
What is the SMILES notation for 4-[(5-bromothiophen-2-yl)-difluoromethyl]aniline?
The canonical SMILES for 4-[(5-bromothiophen-2-yl)-difluoromethyl]aniline is Nc1ccc(C(F)(F)c2ccc(Br)s2)cc1.
What is the InChIKey of 4-[(5-bromothiophen-2-yl)-difluoromethyl]aniline?
The InChIKey is HSQGYRXCIMDOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2NS/c12-10-6-5-9(16-10)11(13,14)7-1-3-8(15)4-2-7/h1-6H,15H2.
What are the key properties of 4-[(5-bromothiophen-2-yl)-difluoromethyl]aniline?
4-[(5-bromothiophen-2-yl)-difluoromethyl]aniline has a molecular weight of 304.16 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromothiophen-2-yl)-difluoromethyl]aniline is sourced from PubChem (CID 116840064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).