2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-1-thiophen-3-ylethanol

C14H13F4NOS — CID 103823528

IUPAC2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-1-thiophen-3-ylethanol
SMILESOC(CNCc1cc(F)cc(C(F)(F)F)c1)c1ccsc1
InChIInChI=1S/C14H13F4NOS/c15-12-4-9(3-11(5-12)14(16,17)18)6-19-7-13(20)10-1-2-21-8-10/h1-5,8,13,19-20H,6-7H2
InChIKeyYJYHNPBUBGPHFT-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.73
Rot. Bonds5

About 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-1-thiophen-3-ylethanol

2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-1-thiophen-3-ylethanol (PubChem CID 103823528) has the molecular formula C14H13F4NOS and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-1-thiophen-3-ylethanol
PubChem CID103823528
Molecular FormulaC14H13F4NOS
Molecular Weight319.32 g/mol
Exact Mass319.07
IUPAC Name2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-1-thiophen-3-ylethanol
SMILESOC(CNCc1cc(F)cc(C(F)(F)F)c1)c1ccsc1
InChIInChI=1S/C14H13F4NOS/c15-12-4-9(3-11(5-12)14(16,17)18)6-19-7-13(20)10-1-2-21-8-10/h1-5,8,13,19-20H,6-7H2
InChIKeyYJYHNPBUBGPHFT-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-thiophen-3-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]ethanol
CID 103685294
2-[(5-fluoro-2-methylphenyl)methylamino]-1-thiophen-3-ylethanol
CID 103943964
2-(3,5-difluorophenyl)-1-thiophen-3-ylethanol
CID 65099650
2-[(4-cyclopropylphenyl)methylamino]-1-thiophen-3-ylethanol
CID 106434767
3-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-2-hydroxypropanamide
CID 106171481
1-thiophen-3-yl-2-[(4-trimethylsilylphenyl)methylamino]ethanol
CID 106435058
2-fluoro-5-[[(2-hydroxy-2-thiophen-3-ylethyl)amino]methyl]benzonitrile
CID 106434833
1-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-3-methoxypropan-2-ol
CID 115282873
1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]ethanol
CID 134033677
2-[(5-chloro-2-fluorophenyl)methylamino]-1-thiophen-3-ylethanol
CID 113334906
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]-1-thiophen-3-ylethanol
CID 111440463
1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-thiophen-3-ylpropan-1-ol
CID 115351116

Frequently Asked Questions

What is the IUPAC name of 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-1-thiophen-3-ylethanol (CID 103823528) is 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-1-thiophen-3-ylethanol is OC(CNCc1cc(F)cc(C(F)(F)F)c1)c1ccsc1.
What is the InChIKey of 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-1-thiophen-3-ylethanol?
The InChIKey is YJYHNPBUBGPHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4NOS/c15-12-4-9(3-11(5-12)14(16,17)18)6-19-7-13(20)10-1-2-21-8-10/h1-5,8,13,19-20H,6-7H2.
What are the key properties of 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-1-thiophen-3-ylethanol?
2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-1-thiophen-3-ylethanol has a molecular weight of 319.32 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 103823528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).