[2-chloro-4-(3-fluorophenyl)-5-methylthiophen-3-yl]methanamine

C12H11ClFNS — CID 114873424

IUPAC[2-chloro-4-(3-fluorophenyl)-5-methylthiophen-3-yl]methanamine
SMILESCc1sc(Cl)c(CN)c1-c1cccc(F)c1
InChIInChI=1S/C12H11ClFNS/c1-7-11(10(6-15)12(13)16-7)8-3-2-4-9(14)5-8/h2-5H,6,15H2,1H3
InChIKeyQDUFWCAWIWVYSF-UHFFFAOYSA-N
MW255.75 g/mol
LogP3.97
Rot. Bonds2

About [2-chloro-4-(3-fluorophenyl)-5-methylthiophen-3-yl]methanamine

[2-chloro-4-(3-fluorophenyl)-5-methylthiophen-3-yl]methanamine (PubChem CID 114873424) has the molecular formula C12H11ClFNS and a molecular weight of 255.75 g/mol. Its IUPAC name is [2-chloro-4-(3-fluorophenyl)-5-methylthiophen-3-yl]methanamine.

Molecular Properties

Compound Name[2-chloro-4-(3-fluorophenyl)-5-methylthiophen-3-yl]methanamine
PubChem CID114873424
Molecular FormulaC12H11ClFNS
Molecular Weight255.75 g/mol
Exact Mass255.03
IUPAC Name[2-chloro-4-(3-fluorophenyl)-5-methylthiophen-3-yl]methanamine
SMILESCc1sc(Cl)c(CN)c1-c1cccc(F)c1
InChIInChI=1S/C12H11ClFNS/c1-7-11(10(6-15)12(13)16-7)8-3-2-4-9(14)5-8/h2-5H,6,15H2,1H3
InChIKeyQDUFWCAWIWVYSF-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-(3-fluorophenyl)-5-methylthiophen-3-amine
CID 114873444
4-chloro-3-(3-fluorophenyl)-2-methylpyridine
CID 165448690
2-(3-fluorophenyl)-5-methyl-1,3-thiazol-4-amine
CID 83107881
[4-(3-chloro-5-fluorophenyl)-2,6-dimethylphenyl]methanamine
CID 172876806
[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 61280947
[1-[4-(3-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]cyclopropyl]methanamine
CID 116865375
[4-(3-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
CID 82106665
[1-ethyl-2-(3-fluorophenyl)indol-3-yl]methanamine
CID 22689338
[5-(3-fluorophenyl)-4-(2-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 82106600
3-(aminomethyl)-4-(3-fluorophenyl)-1H-pyridin-2-one
CID 84683537
4-(3-fluorophenyl)-5-methyl-3H-1,3-thiazol-2-one
CID 112694812
3-chloro-4-(3-fluorophenyl)-2-methylaniline
CID 171916548

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(3-fluorophenyl)-5-methylthiophen-3-yl]methanamine?
The IUPAC name of [2-chloro-4-(3-fluorophenyl)-5-methylthiophen-3-yl]methanamine (CID 114873424) is [2-chloro-4-(3-fluorophenyl)-5-methylthiophen-3-yl]methanamine.
What is the SMILES notation for [2-chloro-4-(3-fluorophenyl)-5-methylthiophen-3-yl]methanamine?
The canonical SMILES for [2-chloro-4-(3-fluorophenyl)-5-methylthiophen-3-yl]methanamine is Cc1sc(Cl)c(CN)c1-c1cccc(F)c1.
What is the InChIKey of [2-chloro-4-(3-fluorophenyl)-5-methylthiophen-3-yl]methanamine?
The InChIKey is QDUFWCAWIWVYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNS/c1-7-11(10(6-15)12(13)16-7)8-3-2-4-9(14)5-8/h2-5H,6,15H2,1H3.
What are the key properties of [2-chloro-4-(3-fluorophenyl)-5-methylthiophen-3-yl]methanamine?
[2-chloro-4-(3-fluorophenyl)-5-methylthiophen-3-yl]methanamine has a molecular weight of 255.75 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(3-fluorophenyl)-5-methylthiophen-3-yl]methanamine is sourced from PubChem (CID 114873424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).