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

C9H11ClF3NOS — CID 63901231

IUPAC3-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol
SMILESCN(Cc1ccc(Cl)s1)CC(O)C(F)(F)F
InChIInChI=1S/C9H11ClF3NOS/c1-14(5-7(15)9(11,12)13)4-6-2-3-8(10)16-6/h2-3,7,15H,4-5H2,1H3
InChIKeyZVUGYQRUXFVATB-UHFFFAOYSA-N
MW273.71 g/mol
LogP2.76
Rot. Bonds4

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

3-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol (PubChem CID 63901231) has the molecular formula C9H11ClF3NOS and a molecular weight of 273.71 g/mol. Its IUPAC name is 3-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol
PubChem CID63901231
Molecular FormulaC9H11ClF3NOS
Molecular Weight273.71 g/mol
Exact Mass273.02
IUPAC Name3-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol
SMILESCN(Cc1ccc(Cl)s1)CC(O)C(F)(F)F
InChIInChI=1S/C9H11ClF3NOS/c1-14(5-7(15)9(11,12)13)4-6-2-3-8(10)16-6/h2-3,7,15H,4-5H2,1H3
InChIKeyZVUGYQRUXFVATB-UHFFFAOYSA-N
XLogP2.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.71
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol (CID 63901231) is 3-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol is CN(Cc1ccc(Cl)s1)CC(O)C(F)(F)F.
What is the InChIKey of 3-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is ZVUGYQRUXFVATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3NOS/c1-14(5-7(15)9(11,12)13)4-6-2-3-8(10)16-6/h2-3,7,15H,4-5H2,1H3.
What are the key properties of 3-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol?
3-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 273.71 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63901231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).