3-[1-(5-chlorothiophen-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol

C9H11ClF3NOS — CID 63901067

IUPAC3-[1-(5-chlorothiophen-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
SMILESCC(NCC(O)C(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C9H11ClF3NOS/c1-5(6-2-3-8(10)16-6)14-4-7(15)9(11,12)13/h2-3,5,7,14-15H,4H2,1H3
InChIKeyFFVVHMMMRNZTTA-UHFFFAOYSA-N
MW273.71 g/mol
LogP2.98
Rot. Bonds4

About 3-[1-(5-chlorothiophen-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol

3-[1-(5-chlorothiophen-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol (PubChem CID 63901067) has the molecular formula C9H11ClF3NOS and a molecular weight of 273.71 g/mol. Its IUPAC name is 3-[1-(5-chlorothiophen-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[1-(5-chlorothiophen-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
PubChem CID63901067
Molecular FormulaC9H11ClF3NOS
Molecular Weight273.71 g/mol
Exact Mass273.02
IUPAC Name3-[1-(5-chlorothiophen-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
SMILESCC(NCC(O)C(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C9H11ClF3NOS/c1-5(6-2-3-8(10)16-6)14-4-7(15)9(11,12)13/h2-3,5,7,14-15H,4H2,1H3
InChIKeyFFVVHMMMRNZTTA-UHFFFAOYSA-N
XLogP2.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.71
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-chlorothiophen-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[1-(5-chlorothiophen-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol (CID 63901067) is 3-[1-(5-chlorothiophen-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[1-(5-chlorothiophen-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[1-(5-chlorothiophen-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol is CC(NCC(O)C(F)(F)F)c1ccc(Cl)s1.
What is the InChIKey of 3-[1-(5-chlorothiophen-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is FFVVHMMMRNZTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3NOS/c1-5(6-2-3-8(10)16-6)14-4-7(15)9(11,12)13/h2-3,5,7,14-15H,4H2,1H3.
What are the key properties of 3-[1-(5-chlorothiophen-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol?
3-[1-(5-chlorothiophen-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 273.71 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-chlorothiophen-2-yl)ethylamino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63901067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).