2,3,4,5,6-pentafluoro-N-[1-(oxolan-2-yl)ethyl]benzamide

C13H12F5NO2 — CID 6466404

IUPAC2,3,4,5,6-pentafluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1c(F)c(F)c(F)c(F)c1F)C1CCCO1
InChIInChI=1S/C13H12F5NO2/c1-5(6-3-2-4-21-6)19-13(20)7-8(14)10(16)12(18)11(17)9(7)15/h5-6H,2-4H2,1H3,(H,19,20)
InChIKeyWRNCKOCBBURPHN-UHFFFAOYSA-N
MW309.23 g/mol
LogP2.68
Rot. Bonds3

About 2,3,4,5,6-pentafluoro-N-[1-(oxolan-2-yl)ethyl]benzamide

2,3,4,5,6-pentafluoro-N-[1-(oxolan-2-yl)ethyl]benzamide (PubChem CID 6466404) has the molecular formula C13H12F5NO2 and a molecular weight of 309.23 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-[1-(oxolan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
PubChem CID6466404
Molecular FormulaC13H12F5NO2
Molecular Weight309.23 g/mol
Exact Mass309.08
IUPAC Name2,3,4,5,6-pentafluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1c(F)c(F)c(F)c(F)c1F)C1CCCO1
InChIInChI=1S/C13H12F5NO2/c1-5(6-3-2-4-21-6)19-13(20)7-8(14)10(16)12(18)11(17)9(7)15/h5-6H,2-4H2,1H3,(H,19,20)
InChIKeyWRNCKOCBBURPHN-UHFFFAOYSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.23
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 62648709
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018
1,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide
CID 35246071
4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 27232652
3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 27233431
2,2-dimethyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 29038214
6-fluoro-N-[1-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 63971995
N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 6468560
3-(4-fluorophenyl)-5-methyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1,2-oxazole-4-carboxamide
CID 35261820
3-(4-fluorophenyl)-5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,2-oxazole-4-carboxamide
CID 35261814
4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533877
N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-[1-(oxolan-2-yl)ethyl]benzamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-[1-(oxolan-2-yl)ethyl]benzamide (CID 6466404) is 2,3,4,5,6-pentafluoro-N-[1-(oxolan-2-yl)ethyl]benzamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-[1-(oxolan-2-yl)ethyl]benzamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-[1-(oxolan-2-yl)ethyl]benzamide is CC(NC(=O)c1c(F)c(F)c(F)c(F)c1F)C1CCCO1.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-[1-(oxolan-2-yl)ethyl]benzamide?
The InChIKey is WRNCKOCBBURPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F5NO2/c1-5(6-3-2-4-21-6)19-13(20)7-8(14)10(16)12(18)11(17)9(7)15/h5-6H,2-4H2,1H3,(H,19,20).
What are the key properties of 2,3,4,5,6-pentafluoro-N-[1-(oxolan-2-yl)ethyl]benzamide?
2,3,4,5,6-pentafluoro-N-[1-(oxolan-2-yl)ethyl]benzamide has a molecular weight of 309.23 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-[1-(oxolan-2-yl)ethyl]benzamide is sourced from PubChem (CID 6466404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).