N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2,2,2-trifluoroacetamide

C11H9ClF3NOS — CID 62492313

IUPACN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2,2,2-trifluoroacetamide
SMILESO=C(NC1CCSc2ccc(Cl)cc21)C(F)(F)F
InChIInChI=1S/C11H9ClF3NOS/c12-6-1-2-9-7(5-6)8(3-4-18-9)16-10(17)11(13,14)15/h1-2,5,8H,3-4H2,(H,16,17)
InChIKeyVNAMSRNZYWHFFZ-UHFFFAOYSA-N
MW295.71 g/mol
LogP3.56
Rot. Bonds1

About N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2,2,2-trifluoroacetamide

N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2,2,2-trifluoroacetamide (PubChem CID 62492313) has the molecular formula C11H9ClF3NOS and a molecular weight of 295.71 g/mol. Its IUPAC name is N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2,2,2-trifluoroacetamide
PubChem CID62492313
Molecular FormulaC11H9ClF3NOS
Molecular Weight295.71 g/mol
Exact Mass295.00
IUPAC NameN-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2,2,2-trifluoroacetamide
SMILESO=C(NC1CCSc2ccc(Cl)cc21)C(F)(F)F
InChIInChI=1S/C11H9ClF3NOS/c12-6-1-2-9-7(5-6)8(3-4-18-9)16-10(17)11(13,14)15/h1-2,5,8H,3-4H2,(H,16,17)
InChIKeyVNAMSRNZYWHFFZ-UHFFFAOYSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.71
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-bromo-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
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N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-(methylamino)acetamide;hydrochloride
CID 119696427
4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)cyclohexane-1-carboxamide
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2-bromo-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylbutanamide
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6-chloro-N-(2,6-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
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3-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]propanamide
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2,3-dichloro-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 46656545
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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2,2,2-trifluoroacetamide (CID 62492313) is N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2,2,2-trifluoroacetamide is O=C(NC1CCSc2ccc(Cl)cc21)C(F)(F)F.
What is the InChIKey of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2,2,2-trifluoroacetamide?
The InChIKey is VNAMSRNZYWHFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3NOS/c12-6-1-2-9-7(5-6)8(3-4-18-9)16-10(17)11(13,14)15/h1-2,5,8H,3-4H2,(H,16,17).
What are the key properties of N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2,2,2-trifluoroacetamide?
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2,2,2-trifluoroacetamide has a molecular weight of 295.71 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 62492313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).