N-(3,6-dihydro-2H-pyran-2-yl)-4,4,4-trifluorobutanamide

C9H12F3NO2 — CID 90753169

IUPACN-(3,6-dihydro-2H-pyran-2-yl)-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)NC1CC=CCO1
InChIInChI=1S/C9H12F3NO2/c10-9(11,12)5-4-7(14)13-8-3-1-2-6-15-8/h1-2,8H,3-6H2,(H,13,14)
InChIKeyHIBHIFBZWLMVKY-UHFFFAOYSA-N
MW223.19 g/mol
LogP1.75
Rot. Bonds3

About N-(3,6-dihydro-2H-pyran-2-yl)-4,4,4-trifluorobutanamide

N-(3,6-dihydro-2H-pyran-2-yl)-4,4,4-trifluorobutanamide (PubChem CID 90753169) has the molecular formula C9H12F3NO2 and a molecular weight of 223.19 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-2-yl)-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-2-yl)-4,4,4-trifluorobutanamide
PubChem CID90753169
Molecular FormulaC9H12F3NO2
Molecular Weight223.19 g/mol
Exact Mass223.08
IUPAC NameN-(3,6-dihydro-2H-pyran-2-yl)-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)NC1CC=CCO1
InChIInChI=1S/C9H12F3NO2/c10-9(11,12)5-4-7(14)13-8-3-1-2-6-15-8/h1-2,8H,3-6H2,(H,13,14)
InChIKeyHIBHIFBZWLMVKY-UHFFFAOYSA-N
XLogP1.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 51.75
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

(E)-2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide
CID 153306587
2,2-difluoro-5-(2-methylpropoxy)-N-(2-methylpropyl)pent-3-enamide
CID 157186574
(E)-2,2-difluoro-N-(2-methylpropyl)-5-propoxypent-3-enamide
CID 166767070
(E)-2,2-difluoro-5-(2-methylpropoxy)-N-propylpent-3-enamide
CID 166767148
N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-difluoroacetamide
CID 127017012
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,2-difluoroacetamide
CID 130668383

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-2-yl)-4,4,4-trifluorobutanamide?
The IUPAC name of N-(3,6-dihydro-2H-pyran-2-yl)-4,4,4-trifluorobutanamide (CID 90753169) is N-(3,6-dihydro-2H-pyran-2-yl)-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-2-yl)-4,4,4-trifluorobutanamide?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-2-yl)-4,4,4-trifluorobutanamide is O=C(CCC(F)(F)F)NC1CC=CCO1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-2-yl)-4,4,4-trifluorobutanamide?
The InChIKey is HIBHIFBZWLMVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO2/c10-9(11,12)5-4-7(14)13-8-3-1-2-6-15-8/h1-2,8H,3-6H2,(H,13,14).
What are the key properties of N-(3,6-dihydro-2H-pyran-2-yl)-4,4,4-trifluorobutanamide?
N-(3,6-dihydro-2H-pyran-2-yl)-4,4,4-trifluorobutanamide has a molecular weight of 223.19 g/mol, XLogP of 1.75, 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-2-yl)-4,4,4-trifluorobutanamide is sourced from PubChem (CID 90753169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).