1-[methyl(3,3,3-trifluoropropyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol

C12H18F3NO2S — CID 86842881

IUPAC1-[methyl(3,3,3-trifluoropropyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCN(CCC(F)(F)F)CC(O)COCc1cccs1
InChIInChI=1S/C12H18F3NO2S/c1-16(5-4-12(13,14)15)7-10(17)8-18-9-11-3-2-6-19-11/h2-3,6,10,17H,4-5,7-9H2,1H3
InChIKeyUSGWTYDZINJTKI-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.51
Rot. Bonds8

About 1-[methyl(3,3,3-trifluoropropyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol

1-[methyl(3,3,3-trifluoropropyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 86842881) has the molecular formula C12H18F3NO2S and a molecular weight of 297.34 g/mol. Its IUPAC name is 1-[methyl(3,3,3-trifluoropropyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[methyl(3,3,3-trifluoropropyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID86842881
Molecular FormulaC12H18F3NO2S
Molecular Weight297.34 g/mol
Exact Mass297.10
IUPAC Name1-[methyl(3,3,3-trifluoropropyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCN(CCC(F)(F)F)CC(O)COCc1cccs1
InChIInChI=1S/C12H18F3NO2S/c1-16(5-4-12(13,14)15)7-10(17)8-18-9-11-3-2-6-19-11/h2-3,6,10,17H,4-5,7-9H2,1H3
InChIKeyUSGWTYDZINJTKI-UHFFFAOYSA-N
XLogP2.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl(3,3,3-trifluoropropyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[methyl(3,3,3-trifluoropropyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 86842881) is 1-[methyl(3,3,3-trifluoropropyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[methyl(3,3,3-trifluoropropyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[methyl(3,3,3-trifluoropropyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol is CN(CCC(F)(F)F)CC(O)COCc1cccs1.
What is the InChIKey of 1-[methyl(3,3,3-trifluoropropyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is USGWTYDZINJTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO2S/c1-16(5-4-12(13,14)15)7-10(17)8-18-9-11-3-2-6-19-11/h2-3,6,10,17H,4-5,7-9H2,1H3.
What are the key properties of 1-[methyl(3,3,3-trifluoropropyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-[methyl(3,3,3-trifluoropropyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 297.34 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(3,3,3-trifluoropropyl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 86842881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).