3-amino-2-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol

C14H14F3NOS — CID 65190243

IUPAC3-amino-2-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol
SMILESNCC(c1cccs1)C(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H14F3NOS/c15-14(16,17)11-5-2-1-4-9(11)13(19)10(8-18)12-6-3-7-20-12/h1-7,10,13,19H,8,18H2
InChIKeyDQHBPVJQRCFRGJ-UHFFFAOYSA-N
MW301.33 g/mol
LogP3.54
Rot. Bonds4

About 3-amino-2-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol

3-amino-2-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 65190243) has the molecular formula C14H14F3NOS and a molecular weight of 301.33 g/mol. Its IUPAC name is 3-amino-2-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-2-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID65190243
Molecular FormulaC14H14F3NOS
Molecular Weight301.33 g/mol
Exact Mass301.07
IUPAC Name3-amino-2-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol
SMILESNCC(c1cccs1)C(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H14F3NOS/c15-14(16,17)11-5-2-1-4-9(11)13(19)10(8-18)12-6-3-7-20-12/h1-7,10,13,19H,8,18H2
InChIKeyDQHBPVJQRCFRGJ-UHFFFAOYSA-N
XLogP3.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(Aminomethyl)-2-thienyl](phenyl)methanol
CID 56663483
(1S,2R)-3-fluoro-2-phenyl-1-thiophen-2-ylbut-3-en-1-ol
CID 102368459
3-Thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]prop-2-yn-1-ol
CID 18175399
2,2,2-Trifluoro-1-(3-phenylthiophen-2-yl)ethanol
CID 20571132
[2-[2-(Trifluoromethyl)thiophen-3-yl]phenyl]methanol
CID 21100023
2,2,2-Trifluoro-1-[2-(4-methyl-thiophen-3-yl)-phenyl]-ethanol
CID 66743437
2,2,2-Trifluoro-1-[2-(5-methyl-thiophen-3-yl)-phenyl]-ethanol
CID 66743518
2,2,2-Trifluoro-1-(2-thiophen-3-ylphenyl)ethanol
CID 66743726
2-Amino-1-[2-propyl-4-(trifluoromethyl)thiophen-3-yl]ethanol
CID 142603342
3-Amino-1-[3-(5,5-difluoro-2-methylheptyl)sulfanylphenyl]propan-1-ol
CID 143954780
2,2,2-Trifluoro-1-[2-(5-methylthiophen-2-yl)phenyl]ethanol
CID 163257674
2,2,2-Trifluoro-1-[2-(5-propan-2-ylthiophen-2-yl)phenyl]ethanol
CID 164918234

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 3-amino-2-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol (CID 65190243) is 3-amino-2-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-2-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 3-amino-2-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol is NCC(c1cccs1)C(O)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-amino-2-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is DQHBPVJQRCFRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NOS/c15-14(16,17)11-5-2-1-4-9(11)13(19)10(8-18)12-6-3-7-20-12/h1-7,10,13,19H,8,18H2.
What are the key properties of 3-amino-2-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol?
3-amino-2-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 301.33 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 65190243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).