4-methyl-2,5-bis[4-(trifluoromethyl)phenyl]thiophen-3-amine

C19H13F6NS — CID 134841274

IUPAC4-methyl-2,5-bis[4-(trifluoromethyl)phenyl]thiophen-3-amine
SMILESCc1c(-c2ccc(C(F)(F)F)cc2)sc(-c2ccc(C(F)(F)F)cc2)c1N
InChIInChI=1S/C19H13F6NS/c1-10-15(26)17(12-4-8-14(9-5-12)19(23,24)25)27-16(10)11-2-6-13(7-3-11)18(20,21)22/h2-9H,26H2,1H3
InChIKeyLWARPRFPDMLMGQ-UHFFFAOYSA-N
MW401.38 g/mol
LogP7.01
Rot. Bonds2

About 4-methyl-2,5-bis[4-(trifluoromethyl)phenyl]thiophen-3-amine

4-methyl-2,5-bis[4-(trifluoromethyl)phenyl]thiophen-3-amine (PubChem CID 134841274) has the molecular formula C19H13F6NS and a molecular weight of 401.38 g/mol. Its IUPAC name is 4-methyl-2,5-bis[4-(trifluoromethyl)phenyl]thiophen-3-amine.

Molecular Properties

Compound Name4-methyl-2,5-bis[4-(trifluoromethyl)phenyl]thiophen-3-amine
PubChem CID134841274
Molecular FormulaC19H13F6NS
Molecular Weight401.38 g/mol
Exact Mass401.07
IUPAC Name4-methyl-2,5-bis[4-(trifluoromethyl)phenyl]thiophen-3-amine
SMILESCc1c(-c2ccc(C(F)(F)F)cc2)sc(-c2ccc(C(F)(F)F)cc2)c1N
InChIInChI=1S/C19H13F6NS/c1-10-15(26)17(12-4-8-14(9-5-12)19(23,24)25)27-16(10)11-2-6-13(7-3-11)18(20,21)22/h2-9H,26H2,1H3
InChIKeyLWARPRFPDMLMGQ-UHFFFAOYSA-N
XLogP7.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.38
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-2-[4-(trifluoromethyl)phenyl]thiophene
CID 141064472
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
3-fluoro-2-methyl-4-[4-(trifluoromethyl)phenyl]aniline
CID 171906268
2-methyl-4-[4-(trifluoromethyl)phenyl]aniline
CID 23005194
5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-amine
CID 42873937
2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thiophene
CID 101437034
1,2,4,5-tetrafluoro-3-methyl-6-[4-(trifluoromethyl)phenyl]benzene
CID 134628457
2-(4-methoxyphenyl)-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene
CID 46181810
7-chloro-5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine
CID 145013764
4,5-dimethyl-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 135966488
2,3,5-trifluoro-4-methyl-6-[4-(trifluoromethyl)phenyl]pyridine
CID 11437757

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,5-bis[4-(trifluoromethyl)phenyl]thiophen-3-amine?
The IUPAC name of 4-methyl-2,5-bis[4-(trifluoromethyl)phenyl]thiophen-3-amine (CID 134841274) is 4-methyl-2,5-bis[4-(trifluoromethyl)phenyl]thiophen-3-amine.
What is the SMILES notation for 4-methyl-2,5-bis[4-(trifluoromethyl)phenyl]thiophen-3-amine?
The canonical SMILES for 4-methyl-2,5-bis[4-(trifluoromethyl)phenyl]thiophen-3-amine is Cc1c(-c2ccc(C(F)(F)F)cc2)sc(-c2ccc(C(F)(F)F)cc2)c1N.
What is the InChIKey of 4-methyl-2,5-bis[4-(trifluoromethyl)phenyl]thiophen-3-amine?
The InChIKey is LWARPRFPDMLMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F6NS/c1-10-15(26)17(12-4-8-14(9-5-12)19(23,24)25)27-16(10)11-2-6-13(7-3-11)18(20,21)22/h2-9H,26H2,1H3.
What are the key properties of 4-methyl-2,5-bis[4-(trifluoromethyl)phenyl]thiophen-3-amine?
4-methyl-2,5-bis[4-(trifluoromethyl)phenyl]thiophen-3-amine has a molecular weight of 401.38 g/mol, XLogP of 7.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,5-bis[4-(trifluoromethyl)phenyl]thiophen-3-amine is sourced from PubChem (CID 134841274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).