(4,5-dimethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine

C13H12F3NS — CID 115855292

IUPAC(4,5-dimethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine
SMILESCc1cc(C(N)c2ccc(F)c(F)c2F)sc1C
InChIInChI=1S/C13H12F3NS/c1-6-5-10(18-7(6)2)13(17)8-3-4-9(14)12(16)11(8)15/h3-5,13H,17H2,1-2H3
InChIKeyVMIVYIVLSFRNHD-UHFFFAOYSA-N
MW271.31 g/mol
LogP3.83
Rot. Bonds2

About (4,5-dimethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine

(4,5-dimethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine (PubChem CID 115855292) has the molecular formula C13H12F3NS and a molecular weight of 271.31 g/mol. Its IUPAC name is (4,5-dimethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(4,5-dimethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine
PubChem CID115855292
Molecular FormulaC13H12F3NS
Molecular Weight271.31 g/mol
Exact Mass271.06
IUPAC Name(4,5-dimethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine
SMILESCc1cc(C(N)c2ccc(F)c(F)c2F)sc1C
InChIInChI=1S/C13H12F3NS/c1-6-5-10(18-7(6)2)13(17)8-3-4-9(14)12(16)11(8)15/h3-5,13H,17H2,1-2H3
InChIKeyVMIVYIVLSFRNHD-UHFFFAOYSA-N
XLogP3.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(5-bromo-2-fluorophenyl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 105011918
(4-bromo-5-chlorothiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 102828028
(2-fluoro-4,6-dimethylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 106883591
(2,5-dichlorothiophen-3-yl)-(2,3,4-trifluorophenyl)methanamine
CID 79749284
(2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115852670
(S)-thiophen-2-yl-(2,3,4-trifluorophenyl)methanamine;hydrochloride
CID 171205796
(2,3-difluoro-4-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 107515550
(2-chloro-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 65237701
5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chloro-3-methylthiophene
CID 102765037
(4-bromo-5-methylthiophen-2-yl)-(2-fluoro-4-methylphenyl)methanamine
CID 102827122
(3-chloro-4-methylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 103405997
(4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 105010852

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine?
The IUPAC name of (4,5-dimethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine (CID 115855292) is (4,5-dimethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine.
What is the SMILES notation for (4,5-dimethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine?
The canonical SMILES for (4,5-dimethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine is Cc1cc(C(N)c2ccc(F)c(F)c2F)sc1C.
What is the InChIKey of (4,5-dimethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine?
The InChIKey is VMIVYIVLSFRNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NS/c1-6-5-10(18-7(6)2)13(17)8-3-4-9(14)12(16)11(8)15/h3-5,13H,17H2,1-2H3.
What are the key properties of (4,5-dimethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine?
(4,5-dimethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine has a molecular weight of 271.31 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine is sourced from PubChem (CID 115855292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).