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

C9H10Cl2F3NOS — CID 103778659

IUPAC3-[1-(2,5-dichlorothiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
SMILESCC(NCC(O)C(F)(F)F)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H10Cl2F3NOS/c1-4(5-2-7(10)17-8(5)11)15-3-6(16)9(12,13)14/h2,4,6,15-16H,3H2,1H3
InChIKeyOKAQZLLOLJCETF-UHFFFAOYSA-N
MW308.15 g/mol
LogP3.63
Rot. Bonds4

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

3-[1-(2,5-dichlorothiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol (PubChem CID 103778659) has the molecular formula C9H10Cl2F3NOS and a molecular weight of 308.15 g/mol. Its IUPAC name is 3-[1-(2,5-dichlorothiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[1-(2,5-dichlorothiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
PubChem CID103778659
Molecular FormulaC9H10Cl2F3NOS
Molecular Weight308.15 g/mol
Exact Mass306.98
IUPAC Name3-[1-(2,5-dichlorothiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
SMILESCC(NCC(O)C(F)(F)F)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H10Cl2F3NOS/c1-4(5-2-7(10)17-8(5)11)15-3-6(16)9(12,13)14/h2,4,6,15-16H,3H2,1H3
InChIKeyOKAQZLLOLJCETF-UHFFFAOYSA-N
XLogP3.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.15
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dichlorothiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[1-(2,5-dichlorothiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol (CID 103778659) is 3-[1-(2,5-dichlorothiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[1-(2,5-dichlorothiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[1-(2,5-dichlorothiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol is CC(NCC(O)C(F)(F)F)c1cc(Cl)sc1Cl.
What is the InChIKey of 3-[1-(2,5-dichlorothiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is OKAQZLLOLJCETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2F3NOS/c1-4(5-2-7(10)17-8(5)11)15-3-6(16)9(12,13)14/h2,4,6,15-16H,3H2,1H3.
What are the key properties of 3-[1-(2,5-dichlorothiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol?
3-[1-(2,5-dichlorothiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 308.15 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dichlorothiophen-3-yl)ethylamino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 103778659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).