N-[(3-chloro-4-methylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine

C8H9ClF3NS — CID 103401508

IUPACN-[(3-chloro-4-methylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCc1csc(CNCC(F)(F)F)c1Cl
InChIInChI=1S/C8H9ClF3NS/c1-5-3-14-6(7(5)9)2-13-4-8(10,11)12/h3,13H,2,4H2,1H3
InChIKeyUAYRCQSGVFFFKD-UHFFFAOYSA-N
MW243.68 g/mol
LogP3.36
Rot. Bonds3

About N-[(3-chloro-4-methylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine

N-[(3-chloro-4-methylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 103401508) has the molecular formula C8H9ClF3NS and a molecular weight of 243.68 g/mol. Its IUPAC name is N-[(3-chloro-4-methylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID103401508
Molecular FormulaC8H9ClF3NS
Molecular Weight243.68 g/mol
Exact Mass243.01
IUPAC NameN-[(3-chloro-4-methylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCc1csc(CNCC(F)(F)F)c1Cl
InChIInChI=1S/C8H9ClF3NS/c1-5-3-14-6(7(5)9)2-13-4-8(10,11)12/h3,13H,2,4H2,1H3
InChIKeyUAYRCQSGVFFFKD-UHFFFAOYSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.68
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(3-chloro-4-methylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine (CID 103401508) is N-[(3-chloro-4-methylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(3-chloro-4-methylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(3-chloro-4-methylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine is Cc1csc(CNCC(F)(F)F)c1Cl.
What is the InChIKey of N-[(3-chloro-4-methylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is UAYRCQSGVFFFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3NS/c1-5-3-14-6(7(5)9)2-13-4-8(10,11)12/h3,13H,2,4H2,1H3.
What are the key properties of N-[(3-chloro-4-methylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(3-chloro-4-methylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 243.68 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylthiophen-2-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 103401508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).