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

C10H16F5NO2 — CID 157032972

IUPAC4,4-difluoro-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCC(C)OCC(F)(F)CCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H16F5NO2/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)
InChIKeyIFUNCASIORXWMZ-UHFFFAOYSA-N
MW277.23 g/mol
LogP2.51
Rot. Bonds7

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

4,4-difluoro-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 157032972) has the molecular formula C10H16F5NO2 and a molecular weight of 277.23 g/mol. Its IUPAC name is 4,4-difluoro-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name4,4-difluoro-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID157032972
Molecular FormulaC10H16F5NO2
Molecular Weight277.23 g/mol
Exact Mass277.11
IUPAC Name4,4-difluoro-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCC(C)OCC(F)(F)CCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H16F5NO2/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)
InChIKeyIFUNCASIORXWMZ-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.23
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of 4,4-difluoro-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pentanamide (CID 157032972) is 4,4-difluoro-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for 4,4-difluoro-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for 4,4-difluoro-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pentanamide is CC(C)OCC(F)(F)CCC(=O)NCC(F)(F)F.
What is the InChIKey of 4,4-difluoro-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is IFUNCASIORXWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F5NO2/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).
What are the key properties of 4,4-difluoro-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pentanamide?
4,4-difluoro-5-propan-2-yloxy-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 277.23 g/mol, XLogP of 2.51, 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 is sourced from PubChem (CID 157032972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).