2-(1,4-dithian-2-yl)-N-ethyl-N-(3,3,3-trifluoropropyl)acetamide

C11H18F3NOS2 — CID 84590093

IUPAC2-(1,4-dithian-2-yl)-N-ethyl-N-(3,3,3-trifluoropropyl)acetamide
SMILESCCN(CCC(F)(F)F)C(=O)CC1CSCCS1
InChIInChI=1S/C11H18F3NOS2/c1-2-15(4-3-11(12,13)14)10(16)7-9-8-17-5-6-18-9/h9H,2-8H2,1H3
InChIKeySFNRKYUPQNWBSF-UHFFFAOYSA-N
MW301.40 g/mol
LogP3.03
Rot. Bonds5

About 2-(1,4-dithian-2-yl)-N-ethyl-N-(3,3,3-trifluoropropyl)acetamide

2-(1,4-dithian-2-yl)-N-ethyl-N-(3,3,3-trifluoropropyl)acetamide (PubChem CID 84590093) has the molecular formula C11H18F3NOS2 and a molecular weight of 301.40 g/mol. Its IUPAC name is 2-(1,4-dithian-2-yl)-N-ethyl-N-(3,3,3-trifluoropropyl)acetamide.

Molecular Properties

Compound Name2-(1,4-dithian-2-yl)-N-ethyl-N-(3,3,3-trifluoropropyl)acetamide
PubChem CID84590093
Molecular FormulaC11H18F3NOS2
Molecular Weight301.40 g/mol
Exact Mass301.08
IUPAC Name2-(1,4-dithian-2-yl)-N-ethyl-N-(3,3,3-trifluoropropyl)acetamide
SMILESCCN(CCC(F)(F)F)C(=O)CC1CSCCS1
InChIInChI=1S/C11H18F3NOS2/c1-2-15(4-3-11(12,13)14)10(16)7-9-8-17-5-6-18-9/h9H,2-8H2,1H3
InChIKeySFNRKYUPQNWBSF-UHFFFAOYSA-N
XLogP3.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dithian-2-yl)-N-ethyl-N-(3,3,3-trifluoropropyl)acetamide?
The IUPAC name of 2-(1,4-dithian-2-yl)-N-ethyl-N-(3,3,3-trifluoropropyl)acetamide (CID 84590093) is 2-(1,4-dithian-2-yl)-N-ethyl-N-(3,3,3-trifluoropropyl)acetamide.
What is the SMILES notation for 2-(1,4-dithian-2-yl)-N-ethyl-N-(3,3,3-trifluoropropyl)acetamide?
The canonical SMILES for 2-(1,4-dithian-2-yl)-N-ethyl-N-(3,3,3-trifluoropropyl)acetamide is CCN(CCC(F)(F)F)C(=O)CC1CSCCS1.
What is the InChIKey of 2-(1,4-dithian-2-yl)-N-ethyl-N-(3,3,3-trifluoropropyl)acetamide?
The InChIKey is SFNRKYUPQNWBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NOS2/c1-2-15(4-3-11(12,13)14)10(16)7-9-8-17-5-6-18-9/h9H,2-8H2,1H3.
What are the key properties of 2-(1,4-dithian-2-yl)-N-ethyl-N-(3,3,3-trifluoropropyl)acetamide?
2-(1,4-dithian-2-yl)-N-ethyl-N-(3,3,3-trifluoropropyl)acetamide has a molecular weight of 301.40 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dithian-2-yl)-N-ethyl-N-(3,3,3-trifluoropropyl)acetamide is sourced from PubChem (CID 84590093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).