1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-methylmethanamine

C12H11ClFNS — CID 61470195

IUPAC1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccc(Cl)c(F)c2)s1
InChIInChI=1S/C12H11ClFNS/c1-15-7-9-3-5-12(16-9)8-2-4-10(13)11(14)6-8/h2-6,15H,7H2,1H3
InChIKeyJZCKVGGNFMQZMU-UHFFFAOYSA-N
MW255.75 g/mol
LogP3.93
Rot. Bonds3

About 1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-methylmethanamine

1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-methylmethanamine (PubChem CID 61470195) has the molecular formula C12H11ClFNS and a molecular weight of 255.75 g/mol. Its IUPAC name is 1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-methylmethanamine
PubChem CID61470195
Molecular FormulaC12H11ClFNS
Molecular Weight255.75 g/mol
Exact Mass255.03
IUPAC Name1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-methylmethanamine
SMILESCNCc1ccc(-c2ccc(Cl)c(F)c2)s1
InChIInChI=1S/C12H11ClFNS/c1-15-7-9-3-5-12(16-9)8-2-4-10(13)11(14)6-8/h2-6,15H,7H2,1H3
InChIKeyJZCKVGGNFMQZMU-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-methylmethanamine (CID 61470195) is 1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-methylmethanamine is CNCc1ccc(-c2ccc(Cl)c(F)c2)s1.
What is the InChIKey of 1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-methylmethanamine?
The InChIKey is JZCKVGGNFMQZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNS/c1-15-7-9-3-5-12(16-9)8-2-4-10(13)11(14)6-8/h2-6,15H,7H2,1H3.
What are the key properties of 1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-methylmethanamine?
1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-methylmethanamine has a molecular weight of 255.75 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chloro-3-fluorophenyl)thiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 61470195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).