1-(5-chloro-4-methylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine

C14H12ClF4NS — CID 102763778

IUPAC1-(5-chloro-4-methylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
SMILESCNC(c1ccc(F)c(C(F)(F)F)c1)c1cc(C)c(Cl)s1
InChIInChI=1S/C14H12ClF4NS/c1-7-5-11(21-13(7)15)12(20-2)8-3-4-10(16)9(6-8)14(17,18)19/h3-6,12,20H,1-2H3
InChIKeyLMFGSSZOKVQWMY-UHFFFAOYSA-N
MW337.77 g/mol
LogP5.18
Rot. Bonds3

About 1-(5-chloro-4-methylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine

1-(5-chloro-4-methylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine (PubChem CID 102763778) has the molecular formula C14H12ClF4NS and a molecular weight of 337.77 g/mol. Its IUPAC name is 1-(5-chloro-4-methylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-4-methylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
PubChem CID102763778
Molecular FormulaC14H12ClF4NS
Molecular Weight337.77 g/mol
Exact Mass337.03
IUPAC Name1-(5-chloro-4-methylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
SMILESCNC(c1ccc(F)c(C(F)(F)F)c1)c1cc(C)c(Cl)s1
InChIInChI=1S/C14H12ClF4NS/c1-7-5-11(21-13(7)15)12(20-2)8-3-4-10(16)9(6-8)14(17,18)19/h3-6,12,20H,1-2H3
InChIKeyLMFGSSZOKVQWMY-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.77
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 102763751
1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 102763622
1-(5-chloro-4-methylthiophen-2-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 102763742
1-(3,5-dimethylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 81163519
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylphenyl)methanamine
CID 115794840
1-(3-chlorothiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 80529038
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 104991349
1-(3-chloro-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
CID 102763666
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 104988381
1-(5-chloro-4-methylthiophen-2-yl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 102763724
1-[2-bromo-5-(trifluoromethyl)phenyl]-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
CID 102763792
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-pyridazin-4-ylmethanamine
CID 107291869

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine (CID 102763778) is 1-(5-chloro-4-methylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-(5-chloro-4-methylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-(5-chloro-4-methylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine is CNC(c1ccc(F)c(C(F)(F)F)c1)c1cc(C)c(Cl)s1.
What is the InChIKey of 1-(5-chloro-4-methylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine?
The InChIKey is LMFGSSZOKVQWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF4NS/c1-7-5-11(21-13(7)15)12(20-2)8-3-4-10(16)9(6-8)14(17,18)19/h3-6,12,20H,1-2H3.
What are the key properties of 1-(5-chloro-4-methylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine?
1-(5-chloro-4-methylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine has a molecular weight of 337.77 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-methylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 102763778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).