N-(2-ethylhexyl)-2,2,3,3,4,4,4-heptafluorobutanamide

C12H18F7NO — CID 545238

IUPACN-(2-ethylhexyl)-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCCCCC(CC)CNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H18F7NO/c1-3-5-6-8(4-2)7-20-9(21)10(13,14)11(15,16)12(17,18)19/h8H,3-7H2,1-2H3,(H,20,21)
InChIKeyUDCZMOQLCBMHKY-UHFFFAOYSA-N
MW325.27 g/mol
LogP4.15
Rot. Bonds8

About N-(2-ethylhexyl)-2,2,3,3,4,4,4-heptafluorobutanamide

N-(2-ethylhexyl)-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 545238) has the molecular formula C12H18F7NO and a molecular weight of 325.27 g/mol. Its IUPAC name is N-(2-ethylhexyl)-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID545238
Molecular FormulaC12H18F7NO
Molecular Weight325.27 g/mol
Exact Mass325.13
IUPAC NameN-(2-ethylhexyl)-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCCCCC(CC)CNC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H18F7NO/c1-3-5-6-8(4-2)7-20-9(21)10(13,14)11(15,16)12(17,18)19/h8H,3-7H2,1-2H3,(H,20,21)
InChIKeyUDCZMOQLCBMHKY-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-ethylhexyl)-2,2,3,3,4,4,4-heptafluorobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N-(2-ethylhexyl)-2,2,3,3,4,4,4-heptafluorobutanamide (CID 545238) is N-(2-ethylhexyl)-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N-(2-ethylhexyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N-(2-ethylhexyl)-2,2,3,3,4,4,4-heptafluorobutanamide is CCCCC(CC)CNC(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(2-ethylhexyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is UDCZMOQLCBMHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F7NO/c1-3-5-6-8(4-2)7-20-9(21)10(13,14)11(15,16)12(17,18)19/h8H,3-7H2,1-2H3,(H,20,21).
What are the key properties of N-(2-ethylhexyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
N-(2-ethylhexyl)-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 325.27 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 545238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).