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

C19H34F5NO — CID 533202

IUPACN,N-bis(2-ethylhexyl)-2,2,3,3,3-pentafluoropropanamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C19H34F5NO/c1-5-9-11-15(7-3)13-25(14-16(8-4)12-10-6-2)17(26)18(20,21)19(22,23)24/h15-16H,5-14H2,1-4H3
InChIKeyDDIQDKUPDGNIMH-UHFFFAOYSA-N
MW387.48 g/mol
LogP6.45
Rot. Bonds13

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

N,N-bis(2-ethylhexyl)-2,2,3,3,3-pentafluoropropanamide (PubChem CID 533202) has the molecular formula C19H34F5NO and a molecular weight of 387.48 g/mol. Its IUPAC name is N,N-bis(2-ethylhexyl)-2,2,3,3,3-pentafluoropropanamide.

Molecular Properties

Compound NameN,N-bis(2-ethylhexyl)-2,2,3,3,3-pentafluoropropanamide
PubChem CID533202
Molecular FormulaC19H34F5NO
Molecular Weight387.48 g/mol
Exact Mass387.26
IUPAC NameN,N-bis(2-ethylhexyl)-2,2,3,3,3-pentafluoropropanamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C19H34F5NO/c1-5-9-11-15(7-3)13-25(14-16(8-4)12-10-6-2)17(26)18(20,21)19(22,23)24/h15-16H,5-14H2,1-4H3
InChIKeyDDIQDKUPDGNIMH-UHFFFAOYSA-N
XLogP6.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 56.45
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)-2,2,3,3,3-pentafluoropropanamide?
The IUPAC name of N,N-bis(2-ethylhexyl)-2,2,3,3,3-pentafluoropropanamide (CID 533202) is N,N-bis(2-ethylhexyl)-2,2,3,3,3-pentafluoropropanamide.
What is the SMILES notation for N,N-bis(2-ethylhexyl)-2,2,3,3,3-pentafluoropropanamide?
The canonical SMILES for N,N-bis(2-ethylhexyl)-2,2,3,3,3-pentafluoropropanamide is CCCCC(CC)CN(CC(CC)CCCC)C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of N,N-bis(2-ethylhexyl)-2,2,3,3,3-pentafluoropropanamide?
The InChIKey is DDIQDKUPDGNIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34F5NO/c1-5-9-11-15(7-3)13-25(14-16(8-4)12-10-6-2)17(26)18(20,21)19(22,23)24/h15-16H,5-14H2,1-4H3.
What are the key properties of N,N-bis(2-ethylhexyl)-2,2,3,3,3-pentafluoropropanamide?
N,N-bis(2-ethylhexyl)-2,2,3,3,3-pentafluoropropanamide has a molecular weight of 387.48 g/mol, XLogP of 6.45, 13 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)-2,2,3,3,3-pentafluoropropanamide is sourced from PubChem (CID 533202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).