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

C7H8F3NO2 — CID 140985248

IUPACN-(3,4-dihydro-2H-pyran-3-yl)-2,2,2-trifluoroacetamide
SMILESO=C(NC1CC=COC1)C(F)(F)F
InChIInChI=1S/C7H8F3NO2/c8-7(9,10)6(12)11-5-2-1-3-13-4-5/h1,3,5H,2,4H2,(H,11,12)
InChIKeyJBPVPXXTILELLY-UHFFFAOYSA-N
MW195.14 g/mol
LogP0.97
Rot. Bonds1

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

N-(3,4-dihydro-2H-pyran-3-yl)-2,2,2-trifluoroacetamide (PubChem CID 140985248) has the molecular formula C7H8F3NO2 and a molecular weight of 195.14 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-3-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-3-yl)-2,2,2-trifluoroacetamide
PubChem CID140985248
Molecular FormulaC7H8F3NO2
Molecular Weight195.14 g/mol
Exact Mass195.05
IUPAC NameN-(3,4-dihydro-2H-pyran-3-yl)-2,2,2-trifluoroacetamide
SMILESO=C(NC1CC=COC1)C(F)(F)F
InChIInChI=1S/C7H8F3NO2/c8-7(9,10)6(12)11-5-2-1-3-13-4-5/h1,3,5H,2,4H2,(H,11,12)
InChIKeyJBPVPXXTILELLY-UHFFFAOYSA-N
XLogP0.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroacetamide
CID 130834904
N-[(3S)-3,4-dihydro-2H-pyran-3-yl]acetamide
CID 88981807

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-3-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3,4-dihydro-2H-pyran-3-yl)-2,2,2-trifluoroacetamide (CID 140985248) is N-(3,4-dihydro-2H-pyran-3-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-3-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-3-yl)-2,2,2-trifluoroacetamide is O=C(NC1CC=COC1)C(F)(F)F.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-3-yl)-2,2,2-trifluoroacetamide?
The InChIKey is JBPVPXXTILELLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO2/c8-7(9,10)6(12)11-5-2-1-3-13-4-5/h1,3,5H,2,4H2,(H,11,12).
What are the key properties of N-(3,4-dihydro-2H-pyran-3-yl)-2,2,2-trifluoroacetamide?
N-(3,4-dihydro-2H-pyran-3-yl)-2,2,2-trifluoroacetamide has a molecular weight of 195.14 g/mol, XLogP of 0.97, 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-pyran-3-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 140985248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).