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

C9H12ClF2NOS — CID 102976659

IUPAC3-[1-(5-chlorothiophen-3-yl)ethylamino]-1,1-difluoropropan-2-ol
SMILESCC(NCC(O)C(F)F)c1csc(Cl)c1
InChIInChI=1S/C9H12ClF2NOS/c1-5(6-2-8(10)15-4-6)13-3-7(14)9(11)12/h2,4-5,7,9,13-14H,3H2,1H3
InChIKeyKPZZUIWAKQVXRH-UHFFFAOYSA-N
MW255.72 g/mol
LogP2.68
Rot. Bonds5

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

3-[1-(5-chlorothiophen-3-yl)ethylamino]-1,1-difluoropropan-2-ol (PubChem CID 102976659) has the molecular formula C9H12ClF2NOS and a molecular weight of 255.72 g/mol. Its IUPAC name is 3-[1-(5-chlorothiophen-3-yl)ethylamino]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[1-(5-chlorothiophen-3-yl)ethylamino]-1,1-difluoropropan-2-ol
PubChem CID102976659
Molecular FormulaC9H12ClF2NOS
Molecular Weight255.72 g/mol
Exact Mass255.03
IUPAC Name3-[1-(5-chlorothiophen-3-yl)ethylamino]-1,1-difluoropropan-2-ol
SMILESCC(NCC(O)C(F)F)c1csc(Cl)c1
InChIInChI=1S/C9H12ClF2NOS/c1-5(6-2-8(10)15-4-6)13-3-7(14)9(11)12/h2,4-5,7,9,13-14H,3H2,1H3
InChIKeyKPZZUIWAKQVXRH-UHFFFAOYSA-N
XLogP2.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 52.68
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-3-yl)ethylamino]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[1-(5-chlorothiophen-3-yl)ethylamino]-1,1-difluoropropan-2-ol (CID 102976659) is 3-[1-(5-chlorothiophen-3-yl)ethylamino]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[1-(5-chlorothiophen-3-yl)ethylamino]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[1-(5-chlorothiophen-3-yl)ethylamino]-1,1-difluoropropan-2-ol is CC(NCC(O)C(F)F)c1csc(Cl)c1.
What is the InChIKey of 3-[1-(5-chlorothiophen-3-yl)ethylamino]-1,1-difluoropropan-2-ol?
The InChIKey is KPZZUIWAKQVXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClF2NOS/c1-5(6-2-8(10)15-4-6)13-3-7(14)9(11)12/h2,4-5,7,9,13-14H,3H2,1H3.
What are the key properties of 3-[1-(5-chlorothiophen-3-yl)ethylamino]-1,1-difluoropropan-2-ol?
3-[1-(5-chlorothiophen-3-yl)ethylamino]-1,1-difluoropropan-2-ol has a molecular weight of 255.72 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-chlorothiophen-3-yl)ethylamino]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 102976659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).