N-(2-ethylhexyl)-2,2,3,3,3-pentafluoropropanamide

C11H18F5NO — CID 91726924

IUPACN-(2-ethylhexyl)-2,2,3,3,3-pentafluoropropanamide
SMILESCCCCC(CC)CNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H18F5NO/c1-3-5-6-8(4-2)7-17-9(18)10(12,13)11(14,15)16/h8H,3-7H2,1-2H3,(H,17,18)
InChIKeyQODLOCKHLXCIMQ-UHFFFAOYSA-N
MW275.26 g/mol
LogP3.52
Rot. Bonds7

About N-(2-ethylhexyl)-2,2,3,3,3-pentafluoropropanamide

N-(2-ethylhexyl)-2,2,3,3,3-pentafluoropropanamide (PubChem CID 91726924) has the molecular formula C11H18F5NO and a molecular weight of 275.26 g/mol. Its IUPAC name is N-(2-ethylhexyl)-2,2,3,3,3-pentafluoropropanamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-2,2,3,3,3-pentafluoropropanamide
PubChem CID91726924
Molecular FormulaC11H18F5NO
Molecular Weight275.26 g/mol
Exact Mass275.13
IUPAC NameN-(2-ethylhexyl)-2,2,3,3,3-pentafluoropropanamide
SMILESCCCCC(CC)CNC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H18F5NO/c1-3-5-6-8(4-2)7-17-9(18)10(12,13)11(14,15)16/h8H,3-7H2,1-2H3,(H,17,18)
InChIKeyQODLOCKHLXCIMQ-UHFFFAOYSA-N
XLogP3.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-2,2,3,3,3-pentafluoropropanamide?
The IUPAC name of N-(2-ethylhexyl)-2,2,3,3,3-pentafluoropropanamide (CID 91726924) is N-(2-ethylhexyl)-2,2,3,3,3-pentafluoropropanamide.
What is the SMILES notation for N-(2-ethylhexyl)-2,2,3,3,3-pentafluoropropanamide?
The canonical SMILES for N-(2-ethylhexyl)-2,2,3,3,3-pentafluoropropanamide is CCCCC(CC)CNC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(2-ethylhexyl)-2,2,3,3,3-pentafluoropropanamide?
The InChIKey is QODLOCKHLXCIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F5NO/c1-3-5-6-8(4-2)7-17-9(18)10(12,13)11(14,15)16/h8H,3-7H2,1-2H3,(H,17,18).
What are the key properties of N-(2-ethylhexyl)-2,2,3,3,3-pentafluoropropanamide?
N-(2-ethylhexyl)-2,2,3,3,3-pentafluoropropanamide has a molecular weight of 275.26 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-2,2,3,3,3-pentafluoropropanamide is sourced from PubChem (CID 91726924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).