(3-chloro-4-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine

C13H10ClF4NS — CID 107291796

IUPAC(3-chloro-4-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
SMILESCc1csc(C(N)c2ccc(F)c(C(F)(F)F)c2)c1Cl
InChIInChI=1S/C13H10ClF4NS/c1-6-5-20-12(10(6)14)11(19)7-2-3-9(15)8(4-7)13(16,17)18/h2-5,11H,19H2,1H3
InChIKeyPRJMLIAOCTXDAL-UHFFFAOYSA-N
MW323.74 g/mol
LogP4.92
Rot. Bonds2

About (3-chloro-4-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine

(3-chloro-4-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine (PubChem CID 107291796) has the molecular formula C13H10ClF4NS and a molecular weight of 323.74 g/mol. Its IUPAC name is (3-chloro-4-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(3-chloro-4-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
PubChem CID107291796
Molecular FormulaC13H10ClF4NS
Molecular Weight323.74 g/mol
Exact Mass323.02
IUPAC Name(3-chloro-4-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
SMILESCc1csc(C(N)c2ccc(F)c(C(F)(F)F)c2)c1Cl
InChIInChI=1S/C13H10ClF4NS/c1-6-5-20-12(10(6)14)11(19)7-2-3-9(15)8(4-7)13(16,17)18/h2-5,11H,19H2,1H3
InChIKeyPRJMLIAOCTXDAL-UHFFFAOYSA-N
XLogP4.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.74
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 103405830
(3-bromo-5-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 65279601
1-(3-chloro-4-methylthiophen-2-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291759
(2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 115801247
(5-bromothiophen-3-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107291801
(3-chloro-4-methylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanamine
CID 103405997
[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methanamine
CID 115790064
3-chloro-2-[chloro-(3,4-difluorophenyl)methyl]-4-methylthiophene
CID 103404573
(3-chloro-4-methylthiophen-2-yl)-(5-fluoro-3-pyridinyl)methanamine
CID 103405312
[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylfuran-3-yl)methanamine
CID 107289329
(3-chlorothiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine
CID 80529677
(3-chloro-4-methylthiophen-2-yl)-[4-(2-methylbutan-2-yl)phenyl]methanamine
CID 103401213

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (3-chloro-4-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine (CID 107291796) is (3-chloro-4-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (3-chloro-4-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (3-chloro-4-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine is Cc1csc(C(N)c2ccc(F)c(C(F)(F)F)c2)c1Cl.
What is the InChIKey of (3-chloro-4-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is PRJMLIAOCTXDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF4NS/c1-6-5-20-12(10(6)14)11(19)7-2-3-9(15)8(4-7)13(16,17)18/h2-5,11H,19H2,1H3.
What are the key properties of (3-chloro-4-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine?
(3-chloro-4-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 323.74 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 107291796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).