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

C20H34F7NO — CID 532978

IUPACN,N-bis(2-ethylhexyl)-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C20H34F7NO/c1-5-9-11-15(7-3)13-28(14-16(8-4)12-10-6-2)17(29)18(21,22)19(23,24)20(25,26)27/h15-16H,5-14H2,1-4H3
InChIKeyDRDRAZUGOVAKNM-UHFFFAOYSA-N
MW437.48 g/mol
LogP7.08
Rot. Bonds14

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

N,N-bis(2-ethylhexyl)-2,2,3,3,4,4,4-heptafluorobutanamide (PubChem CID 532978) has the molecular formula C20H34F7NO and a molecular weight of 437.48 g/mol. Its IUPAC name is N,N-bis(2-ethylhexyl)-2,2,3,3,4,4,4-heptafluorobutanamide.

Molecular Properties

Compound NameN,N-bis(2-ethylhexyl)-2,2,3,3,4,4,4-heptafluorobutanamide
PubChem CID532978
Molecular FormulaC20H34F7NO
Molecular Weight437.48 g/mol
Exact Mass437.25
IUPAC NameN,N-bis(2-ethylhexyl)-2,2,3,3,4,4,4-heptafluorobutanamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C20H34F7NO/c1-5-9-11-15(7-3)13-28(14-16(8-4)12-10-6-2)17(29)18(21,22)19(23,24)20(25,26)27/h15-16H,5-14H2,1-4H3
InChIKeyDRDRAZUGOVAKNM-UHFFFAOYSA-N
XLogP7.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.48
LogP ≤ 57.08
H-Bond Donors ≤ 50
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,N-bis(2-ethylhexyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
The IUPAC name of N,N-bis(2-ethylhexyl)-2,2,3,3,4,4,4-heptafluorobutanamide (CID 532978) is N,N-bis(2-ethylhexyl)-2,2,3,3,4,4,4-heptafluorobutanamide.
What is the SMILES notation for N,N-bis(2-ethylhexyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
The canonical SMILES for N,N-bis(2-ethylhexyl)-2,2,3,3,4,4,4-heptafluorobutanamide is CCCCC(CC)CN(CC(CC)CCCC)C(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N,N-bis(2-ethylhexyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
The InChIKey is DRDRAZUGOVAKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34F7NO/c1-5-9-11-15(7-3)13-28(14-16(8-4)12-10-6-2)17(29)18(21,22)19(23,24)20(25,26)27/h15-16H,5-14H2,1-4H3.
What are the key properties of N,N-bis(2-ethylhexyl)-2,2,3,3,4,4,4-heptafluorobutanamide?
N,N-bis(2-ethylhexyl)-2,2,3,3,4,4,4-heptafluorobutanamide has a molecular weight of 437.48 g/mol, XLogP of 7.08, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-ethylhexyl)-2,2,3,3,4,4,4-heptafluorobutanamide is sourced from PubChem (CID 532978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).