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

C8H10F3NO2 — CID 130834904

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroacetamide
SMILESO=C(NCC1CCC=CO1)C(F)(F)F
InChIInChI=1S/C8H10F3NO2/c9-8(10,11)7(13)12-5-6-3-1-2-4-14-6/h2,4,6H,1,3,5H2,(H,12,13)
InChIKeyIYSAFBSYHOPDEF-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.36
Rot. Bonds2

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

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroacetamide (PubChem CID 130834904) has the molecular formula C8H10F3NO2 and a molecular weight of 209.17 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroacetamide
PubChem CID130834904
Molecular FormulaC8H10F3NO2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroacetamide
SMILESO=C(NCC1CCC=CO1)C(F)(F)F
InChIInChI=1S/C8H10F3NO2/c9-8(10,11)7(13)12-5-6-3-1-2-4-14-6/h2,4,6H,1,3,5H2,(H,12,13)
InChIKeyIYSAFBSYHOPDEF-UHFFFAOYSA-N
XLogP1.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dihydro-2H-pyran-3-yl)-2,2,2-trifluoroacetamide
CID 140985248
2,2,2-trifluoro-N-(2-methyl-3,4-dihydro-2H-pyran-4-yl)acetamide
CID 13671088
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroethanamine
CID 62064871
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,3,3-trifluoropropan-1-amine
CID 63226222
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63828549
(2,2-difluoroethyl)(3,4-dihydro-2H-pyran-2-ylmethyl)amine
CID 75481269
N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2-difluoroethanamine
CID 97300300
N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2-difluoroethanamine
CID 97300301
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol
CID 107094668
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1,1-difluoropropan-2-ol
CID 107095093
2-(2,2-difluoroethoxy)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine
CID 107095580
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,3,3-tetrafluoropropan-1-amine
CID 107095609

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroacetamide (CID 130834904) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroacetamide is O=C(NCC1CCC=CO1)C(F)(F)F.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroacetamide?
The InChIKey is IYSAFBSYHOPDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2/c9-8(10,11)7(13)12-5-6-3-1-2-4-14-6/h2,4,6H,1,3,5H2,(H,12,13).
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroacetamide?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroacetamide has a molecular weight of 209.17 g/mol, XLogP of 1.36, 2 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-2-ylmethyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 130834904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).