N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-difluoroacetamide

C8H11F2NO2 — CID 127017012

IUPACN-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-difluoroacetamide
SMILESO=C(NCC1=CCOCC1)C(F)F
InChIInChI=1S/C8H11F2NO2/c9-7(10)8(12)11-5-6-1-3-13-4-2-6/h1,7H,2-5H2,(H,11,12)
InChIKeyOKGHIFSCXYJXSM-UHFFFAOYSA-N
MW191.18 g/mol
LogP0.71
Rot. Bonds3

About N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-difluoroacetamide

N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-difluoroacetamide (PubChem CID 127017012) has the molecular formula C8H11F2NO2 and a molecular weight of 191.18 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-difluoroacetamide
PubChem CID127017012
Molecular FormulaC8H11F2NO2
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC NameN-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-difluoroacetamide
SMILESO=C(NCC1=CCOCC1)C(F)F
InChIInChI=1S/C8H11F2NO2/c9-7(10)8(12)11-5-6-1-3-13-4-2-6/h1,7H,2-5H2,(H,11,12)
InChIKeyOKGHIFSCXYJXSM-UHFFFAOYSA-N
XLogP0.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3,6-dihydro-2H-pyran-2-yl)-4,4,4-trifluorobutanamide
CID 90753169
N-[(4E,6E)-6-(1,1-difluoroethoxymethyl)-2-methylidenenona-4,6-dienyl]acetamide
CID 173470869
2,2-difluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 103516108
4-(2,2,2-Trifluoroethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404454
4-(2,2-Difluoroethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404638
4-(4,4,4-Trifluorobutoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404639
4-(3,3,3-Trifluoropropoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404641
2,2,2-trifluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114413635
N-(2,2-difluoroethyl)-3,6-dihydro-2H-pyran-4-carboxamide
CID 130616494
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,2-difluoroacetamide
CID 130668383
N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2-methylpropanamide
CID 58548429
N-(3,6-dihydro-2H-pyran-4-ylmethyl)acetamide
CID 70641338

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-difluoroacetamide?
The IUPAC name of N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-difluoroacetamide (CID 127017012) is N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-difluoroacetamide?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-difluoroacetamide is O=C(NCC1=CCOCC1)C(F)F.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-difluoroacetamide?
The InChIKey is OKGHIFSCXYJXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO2/c9-7(10)8(12)11-5-6-1-3-13-4-2-6/h1,7H,2-5H2,(H,11,12).
What are the key properties of N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-difluoroacetamide?
N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-difluoroacetamide has a molecular weight of 191.18 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-difluoroacetamide is sourced from PubChem (CID 127017012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).