2,2,2-trifluoro-N-methyl-N-[(7-methylspiro[5H-thieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl)methyl]acetamide

C14H16F3NO2S — CID 165391212

IUPAC2,2,2-trifluoro-N-methyl-N-[(7-methylspiro[5H-thieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl)methyl]acetamide
SMILESCN(CC1(C)OCC2(CC2)c2ccsc21)C(=O)C(F)(F)F
InChIInChI=1S/C14H16F3NO2S/c1-12(7-18(2)11(19)14(15,16)17)10-9(3-6-21-10)13(4-5-13)8-20-12/h3,6H,4-5,7-8H2,1-2H3
InChIKeyKLERZOVPKSGYLB-UHFFFAOYSA-N
MW319.35 g/mol
LogP3.05
Rot. Bonds2

About 2,2,2-trifluoro-N-methyl-N-[(7-methylspiro[5H-thieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl)methyl]acetamide

2,2,2-trifluoro-N-methyl-N-[(7-methylspiro[5H-thieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl)methyl]acetamide (PubChem CID 165391212) has the molecular formula C14H16F3NO2S and a molecular weight of 319.35 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[(7-methylspiro[5H-thieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[(7-methylspiro[5H-thieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl)methyl]acetamide
PubChem CID165391212
Molecular FormulaC14H16F3NO2S
Molecular Weight319.35 g/mol
Exact Mass319.09
IUPAC Name2,2,2-trifluoro-N-methyl-N-[(7-methylspiro[5H-thieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl)methyl]acetamide
SMILESCN(CC1(C)OCC2(CC2)c2ccsc21)C(=O)C(F)(F)F
InChIInChI=1S/C14H16F3NO2S/c1-12(7-18(2)11(19)14(15,16)17)10-9(3-6-21-10)13(4-5-13)8-20-12/h3,6H,4-5,7-8H2,1-2H3
InChIKeyKLERZOVPKSGYLB-UHFFFAOYSA-N
XLogP3.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[(7-methylspiro[5H-thieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[(7-methylspiro[5H-thieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl)methyl]acetamide (CID 165391212) is 2,2,2-trifluoro-N-methyl-N-[(7-methylspiro[5H-thieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[(7-methylspiro[5H-thieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[(7-methylspiro[5H-thieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl)methyl]acetamide is CN(CC1(C)OCC2(CC2)c2ccsc21)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[(7-methylspiro[5H-thieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl)methyl]acetamide?
The InChIKey is KLERZOVPKSGYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2S/c1-12(7-18(2)11(19)14(15,16)17)10-9(3-6-21-10)13(4-5-13)8-20-12/h3,6H,4-5,7-8H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[(7-methylspiro[5H-thieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl)methyl]acetamide?
2,2,2-trifluoro-N-methyl-N-[(7-methylspiro[5H-thieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl)methyl]acetamide has a molecular weight of 319.35 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[(7-methylspiro[5H-thieno[2,3-c]pyran-4,1'-cyclopropane]-7-yl)methyl]acetamide is sourced from PubChem (CID 165391212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).