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

C9H11Cl2F2NOS — CID 103787951

IUPAC3-[1-(2,5-dichlorothiophen-3-yl)ethylamino]-1,1-difluoropropan-2-ol
SMILESCC(NCC(O)C(F)F)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H11Cl2F2NOS/c1-4(14-3-6(15)9(12)13)5-2-7(10)16-8(5)11/h2,4,6,9,14-15H,3H2,1H3
InChIKeyHDNWQVVZUDQUKS-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.33
Rot. Bonds5

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

3-[1-(2,5-dichlorothiophen-3-yl)ethylamino]-1,1-difluoropropan-2-ol (PubChem CID 103787951) has the molecular formula C9H11Cl2F2NOS and a molecular weight of 290.16 g/mol. Its IUPAC name is 3-[1-(2,5-dichlorothiophen-3-yl)ethylamino]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[1-(2,5-dichlorothiophen-3-yl)ethylamino]-1,1-difluoropropan-2-ol
PubChem CID103787951
Molecular FormulaC9H11Cl2F2NOS
Molecular Weight290.16 g/mol
Exact Mass288.99
IUPAC Name3-[1-(2,5-dichlorothiophen-3-yl)ethylamino]-1,1-difluoropropan-2-ol
SMILESCC(NCC(O)C(F)F)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H11Cl2F2NOS/c1-4(14-3-6(15)9(12)13)5-2-7(10)16-8(5)11/h2,4,6,9,14-15H,3H2,1H3
InChIKeyHDNWQVVZUDQUKS-UHFFFAOYSA-N
XLogP3.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.33
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-difluoropropan-2-ol?
The IUPAC name of 3-[1-(2,5-dichlorothiophen-3-yl)ethylamino]-1,1-difluoropropan-2-ol (CID 103787951) is 3-[1-(2,5-dichlorothiophen-3-yl)ethylamino]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[1-(2,5-dichlorothiophen-3-yl)ethylamino]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[1-(2,5-dichlorothiophen-3-yl)ethylamino]-1,1-difluoropropan-2-ol is CC(NCC(O)C(F)F)c1cc(Cl)sc1Cl.
What is the InChIKey of 3-[1-(2,5-dichlorothiophen-3-yl)ethylamino]-1,1-difluoropropan-2-ol?
The InChIKey is HDNWQVVZUDQUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2F2NOS/c1-4(14-3-6(15)9(12)13)5-2-7(10)16-8(5)11/h2,4,6,9,14-15H,3H2,1H3.
What are the key properties of 3-[1-(2,5-dichlorothiophen-3-yl)ethylamino]-1,1-difluoropropan-2-ol?
3-[1-(2,5-dichlorothiophen-3-yl)ethylamino]-1,1-difluoropropan-2-ol has a molecular weight of 290.16 g/mol, XLogP of 3.33, 5 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-difluoropropan-2-ol is sourced from PubChem (CID 103787951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).