4,4-difluoro-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pentanamide;molecular hydrogen

C10H18F5NO2 — CID 157032971

IUPAC4,4-difluoro-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pentanamide;molecular hydrogen
SMILESCC(C)OCC(F)(F)CCC(=O)NCC(F)(F)F.[H][H]
InChIInChI=1S/C10H16F5NO2.H2/c1-7(2)18-6-9(11,12)4-3-8(17)16-5-10(13,14)15;/h7H,3-6H2,1-2H3,(H,16,17);1H
InChIKeySZMLVCQJZGKHPU-UHFFFAOYSA-N
MW279.25 g/mol
LogP2.75
Rot. Bonds7

About 4,4-difluoro-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pentanamide;molecular hydrogen

4,4-difluoro-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pentanamide;molecular hydrogen (PubChem CID 157032971) has the molecular formula C10H18F5NO2 and a molecular weight of 279.25 g/mol. Its IUPAC name is 4,4-difluoro-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pentanamide;molecular hydrogen.

Molecular Properties

Compound Name4,4-difluoro-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pentanamide;molecular hydrogen
PubChem CID157032971
Molecular FormulaC10H18F5NO2
Molecular Weight279.25 g/mol
Exact Mass279.13
IUPAC Name4,4-difluoro-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pentanamide;molecular hydrogen
SMILESCC(C)OCC(F)(F)CCC(=O)NCC(F)(F)F.[H][H]
InChIInChI=1S/C10H16F5NO2.H2/c1-7(2)18-6-9(11,12)4-3-8(17)16-5-10(13,14)15;/h7H,3-6H2,1-2H3,(H,16,17);1H
InChIKeySZMLVCQJZGKHPU-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,N-Trimethyl-3-((perfluoro{5-(propan-2-yl)oxypentanoyl})amino)propan-1-aminium iodide
CID 162396593
5-amino-1-pentanol, N,O-bis(heptafluorobutyryl)-
CID 91736094
But-2-yl N-trifluoroacetyl-5-aminopentanoate
CID 607180
2,2,3,3,4,4,4-heptafluoro-N-(oxolan-2-ylmethyl)butanamide
CID 5237136
5-(2,2-dimethylpropoxy)-N-(2,2-dimethylpropyl)-2,2-difluoropentanamide
CID 148060997
4,4-difluoro-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pentanamide
CID 157032972
4,4-difluoro-5-methylsulfanyloxy-N-(2,2,2-trifluoroethyl)pentanamide
CID 166826437
4,4-difluoro-N-propan-2-yl-5-propan-2-yloxypentanamide
CID 166827794
5-ethoxy-N-ethyl-2,2-difluoropentanamide
CID 169923750
Ethyl 5-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 172523389
N-(3,3-difluoropropyl)-5-ethoxy-4-oxopentanamide
CID 178078159
5-ethoxy-4-oxo-N-(3,3,4,4-tetrafluorobutyl)pentanamide
CID 178078160

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pentanamide;molecular hydrogen?
The IUPAC name of 4,4-difluoro-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pentanamide;molecular hydrogen (CID 157032971) is 4,4-difluoro-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pentanamide;molecular hydrogen.
What is the SMILES notation for 4,4-difluoro-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pentanamide;molecular hydrogen?
The canonical SMILES for 4,4-difluoro-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pentanamide;molecular hydrogen is CC(C)OCC(F)(F)CCC(=O)NCC(F)(F)F.[H][H].
What is the InChIKey of 4,4-difluoro-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pentanamide;molecular hydrogen?
The InChIKey is SZMLVCQJZGKHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F5NO2.H2/c1-7(2)18-6-9(11,12)4-3-8(17)16-5-10(13,14)15;/h7H,3-6H2,1-2H3,(H,16,17);1H.
What are the key properties of 4,4-difluoro-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pentanamide;molecular hydrogen?
4,4-difluoro-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pentanamide;molecular hydrogen has a molecular weight of 279.25 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pentanamide;molecular hydrogen is sourced from PubChem (CID 157032971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).