N-(3,4-dihydro-2H-chromen-4-yl)-2,2,2-trifluoroacetamide

C11H10F3NO2 — CID 62491972

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-2,2,2-trifluoroacetamide
SMILESO=C(NC1CCOc2ccccc21)C(F)(F)F
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)10(16)15-8-5-6-17-9-4-2-1-3-7(8)9/h1-4,8H,5-6H2,(H,15,16)
InChIKeySALDBVDJGUFUAV-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.19
Rot. Bonds1

About N-(3,4-dihydro-2H-chromen-4-yl)-2,2,2-trifluoroacetamide

N-(3,4-dihydro-2H-chromen-4-yl)-2,2,2-trifluoroacetamide (PubChem CID 62491972) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-2,2,2-trifluoroacetamide
PubChem CID62491972
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-2,2,2-trifluoroacetamide
SMILESO=C(NC1CCOc2ccccc21)C(F)(F)F
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)10(16)15-8-5-6-17-9-4-2-1-3-7(8)9/h1-4,8H,5-6H2,(H,15,16)
InChIKeySALDBVDJGUFUAV-UHFFFAOYSA-N
XLogP2.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2,2,2-trifluoroacetamide (CID 62491972) is N-(3,4-dihydro-2H-chromen-4-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-2,2,2-trifluoroacetamide is O=C(NC1CCOc2ccccc21)C(F)(F)F.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-2,2,2-trifluoroacetamide?
The InChIKey is SALDBVDJGUFUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c12-11(13,14)10(16)15-8-5-6-17-9-4-2-1-3-7(8)9/h1-4,8H,5-6H2,(H,15,16).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-2,2,2-trifluoroacetamide?
N-(3,4-dihydro-2H-chromen-4-yl)-2,2,2-trifluoroacetamide has a molecular weight of 245.20 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 62491972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).