2-amino-1-[2-propyl-4-(trifluoromethyl)thiophen-3-yl]ethanol

C10H14F3NOS — CID 142603342

IUPAC2-amino-1-[2-propyl-4-(trifluoromethyl)thiophen-3-yl]ethanol
SMILESCCCc1scc(C(F)(F)F)c1C(O)CN
InChIInChI=1S/C10H14F3NOS/c1-2-3-8-9(7(15)4-14)6(5-16-8)10(11,12)13/h5,7,15H,2-4,14H2,1H3
InChIKeyRABYIAVCXTVCBI-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.71
Rot. Bonds4

About 2-amino-1-[2-propyl-4-(trifluoromethyl)thiophen-3-yl]ethanol

2-amino-1-[2-propyl-4-(trifluoromethyl)thiophen-3-yl]ethanol (PubChem CID 142603342) has the molecular formula C10H14F3NOS and a molecular weight of 253.29 g/mol. Its IUPAC name is 2-amino-1-[2-propyl-4-(trifluoromethyl)thiophen-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[2-propyl-4-(trifluoromethyl)thiophen-3-yl]ethanol
PubChem CID142603342
Molecular FormulaC10H14F3NOS
Molecular Weight253.29 g/mol
Exact Mass253.07
IUPAC Name2-amino-1-[2-propyl-4-(trifluoromethyl)thiophen-3-yl]ethanol
SMILESCCCc1scc(C(F)(F)F)c1C(O)CN
InChIInChI=1S/C10H14F3NOS/c1-2-3-8-9(7(15)4-14)6(5-16-8)10(11,12)13/h5,7,15H,2-4,14H2,1H3
InChIKeyRABYIAVCXTVCBI-UHFFFAOYSA-N
XLogP2.71
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-2-amino-3-fluoro-1-(4-methylthiophen-2-yl)propan-1-ol
CID 67565866
(1R,2R)-2-amino-3-fluoro-1-(4-methylthiophen-2-yl)propan-1-ol
CID 67900490
3-Amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)propan-2-ol
CID 65099485
3-Amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)pentan-2-ol
CID 65099486
3-Amino-1,1,1-trifluoro-2-(5-methylthiophen-3-yl)butan-2-ol
CID 65099541
3-Amino-2-(3,5-difluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol
CID 65189333
3-Amino-2-(2,4-difluorophenyl)-1-(3-methylthiophen-2-yl)propan-1-ol
CID 65189627
3-Amino-2-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 65190243
3-Amino-2-(4-fluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol
CID 79808376
3-Amino-2-(3,5-difluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol
CID 79808574
3-Amino-2-(2,4-difluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol
CID 79808680
3-Amino-1-(4-methylthiophen-3-yl)-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 79808709

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-propyl-4-(trifluoromethyl)thiophen-3-yl]ethanol?
The IUPAC name of 2-amino-1-[2-propyl-4-(trifluoromethyl)thiophen-3-yl]ethanol (CID 142603342) is 2-amino-1-[2-propyl-4-(trifluoromethyl)thiophen-3-yl]ethanol.
What is the SMILES notation for 2-amino-1-[2-propyl-4-(trifluoromethyl)thiophen-3-yl]ethanol?
The canonical SMILES for 2-amino-1-[2-propyl-4-(trifluoromethyl)thiophen-3-yl]ethanol is CCCc1scc(C(F)(F)F)c1C(O)CN.
What is the InChIKey of 2-amino-1-[2-propyl-4-(trifluoromethyl)thiophen-3-yl]ethanol?
The InChIKey is RABYIAVCXTVCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NOS/c1-2-3-8-9(7(15)4-14)6(5-16-8)10(11,12)13/h5,7,15H,2-4,14H2,1H3.
What are the key properties of 2-amino-1-[2-propyl-4-(trifluoromethyl)thiophen-3-yl]ethanol?
2-amino-1-[2-propyl-4-(trifluoromethyl)thiophen-3-yl]ethanol has a molecular weight of 253.29 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-propyl-4-(trifluoromethyl)thiophen-3-yl]ethanol is sourced from PubChem (CID 142603342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).