2,2,2-trifluoro-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]acetamide

C12H9F6NO2 — CID 146450882

IUPAC2,2,2-trifluoro-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]acetamide
SMILESO=C(N[C@H]1COc2ccc(C(F)(F)F)cc2C1)C(F)(F)F
InChIInChI=1S/C12H9F6NO2/c13-11(14,15)7-1-2-9-6(3-7)4-8(5-21-9)19-10(20)12(16,17)18/h1-3,8H,4-5H2,(H,19,20)/t8-/m1/s1
InChIKeyXESUIFMIKJSVCW-MRVPVSSYSA-N
MW313.20 g/mol
LogP2.69
Rot. Bonds1

About 2,2,2-trifluoro-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]acetamide

2,2,2-trifluoro-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]acetamide (PubChem CID 146450882) has the molecular formula C12H9F6NO2 and a molecular weight of 313.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]acetamide
PubChem CID146450882
Molecular FormulaC12H9F6NO2
Molecular Weight313.20 g/mol
Exact Mass313.05
IUPAC Name2,2,2-trifluoro-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]acetamide
SMILESO=C(N[C@H]1COc2ccc(C(F)(F)F)cc2C1)C(F)(F)F
InChIInChI=1S/C12H9F6NO2/c13-11(14,15)7-1-2-9-6(3-7)4-8(5-21-9)19-10(20)12(16,17)18/h1-3,8H,4-5H2,(H,19,20)/t8-/m1/s1
InChIKeyXESUIFMIKJSVCW-MRVPVSSYSA-N
XLogP2.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]acetamide (CID 146450882) is 2,2,2-trifluoro-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]acetamide is O=C(N[C@H]1COc2ccc(C(F)(F)F)cc2C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]acetamide?
The InChIKey is XESUIFMIKJSVCW-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H9F6NO2/c13-11(14,15)7-1-2-9-6(3-7)4-8(5-21-9)19-10(20)12(16,17)18/h1-3,8H,4-5H2,(H,19,20)/t8-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]acetamide?
2,2,2-trifluoro-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]acetamide has a molecular weight of 313.20 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]acetamide is sourced from PubChem (CID 146450882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).