2-[2-chloro-4-(trifluoromethyl)anilino]-1-thiophen-2-ylethanol

C13H11ClF3NOS — CID 63667106

IUPAC2-[2-chloro-4-(trifluoromethyl)anilino]-1-thiophen-2-ylethanol
SMILESOC(CNc1ccc(C(F)(F)F)cc1Cl)c1cccs1
InChIInChI=1S/C13H11ClF3NOS/c14-9-6-8(13(15,16)17)3-4-10(9)18-7-11(19)12-2-1-5-20-12/h1-6,11,18-19H,7H2
InChIKeyMDVCNJNCKSMIIS-UHFFFAOYSA-N
MW321.75 g/mol
LogP4.57
Rot. Bonds4

About 2-[2-chloro-4-(trifluoromethyl)anilino]-1-thiophen-2-ylethanol

2-[2-chloro-4-(trifluoromethyl)anilino]-1-thiophen-2-ylethanol (PubChem CID 63667106) has the molecular formula C13H11ClF3NOS and a molecular weight of 321.75 g/mol. Its IUPAC name is 2-[2-chloro-4-(trifluoromethyl)anilino]-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-[2-chloro-4-(trifluoromethyl)anilino]-1-thiophen-2-ylethanol
PubChem CID63667106
Molecular FormulaC13H11ClF3NOS
Molecular Weight321.75 g/mol
Exact Mass321.02
IUPAC Name2-[2-chloro-4-(trifluoromethyl)anilino]-1-thiophen-2-ylethanol
SMILESOC(CNc1ccc(C(F)(F)F)cc1Cl)c1cccs1
InChIInChI=1S/C13H11ClF3NOS/c14-9-6-8(13(15,16)17)3-4-10(9)18-7-11(19)12-2-1-5-20-12/h1-6,11,18-19H,7H2
InChIKeyMDVCNJNCKSMIIS-UHFFFAOYSA-N
XLogP4.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.75
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloroanilino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60898565
2-(3-chloro-2-methylanilino)-1-thiophen-2-ylethanol
CID 60896334
2-chloro-N-(2-methylbutyl)-4-(trifluoromethyl)aniline
CID 43714527
2-[2-chloro-4-(trifluoromethyl)anilino]-N-(2-thiophen-2-ylethyl)acetamide
CID 55446616
4-chloro-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]benzonitrile
CID 64689295
N-(2-hydroxy-2-thiophen-2-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 71782461
2-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylethanol
CID 60898689
N-[2-chloro-4-(trifluoromethyl)phenyl]hydroxylamine
CID 54381375
3-[2-chloro-4-(trifluoromethyl)phenoxy]-3-thiophen-2-ylpropan-1-amine
CID 18926314
2-(4-methoxy-2-methylanilino)-1-thiophen-2-ylethanol
CID 62871696
3-[[2-chloro-4-(trifluoromethyl)anilino]methyl]pentan-3-ol
CID 114493143
[4-[[2-chloro-4-(trifluoromethyl)anilino]methyl]phenyl]methanol
CID 115969616

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(trifluoromethyl)anilino]-1-thiophen-2-ylethanol?
The IUPAC name of 2-[2-chloro-4-(trifluoromethyl)anilino]-1-thiophen-2-ylethanol (CID 63667106) is 2-[2-chloro-4-(trifluoromethyl)anilino]-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-[2-chloro-4-(trifluoromethyl)anilino]-1-thiophen-2-ylethanol?
The canonical SMILES for 2-[2-chloro-4-(trifluoromethyl)anilino]-1-thiophen-2-ylethanol is OC(CNc1ccc(C(F)(F)F)cc1Cl)c1cccs1.
What is the InChIKey of 2-[2-chloro-4-(trifluoromethyl)anilino]-1-thiophen-2-ylethanol?
The InChIKey is MDVCNJNCKSMIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3NOS/c14-9-6-8(13(15,16)17)3-4-10(9)18-7-11(19)12-2-1-5-20-12/h1-6,11,18-19H,7H2.
What are the key properties of 2-[2-chloro-4-(trifluoromethyl)anilino]-1-thiophen-2-ylethanol?
2-[2-chloro-4-(trifluoromethyl)anilino]-1-thiophen-2-ylethanol has a molecular weight of 321.75 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(trifluoromethyl)anilino]-1-thiophen-2-ylethanol is sourced from PubChem (CID 63667106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).