N,N-dicyclohexyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide

C17H22F9NO — CID 575044

IUPACN,N-dicyclohexyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
SMILESO=C(N(C1CCCCC1)C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H22F9NO/c18-14(19,15(20,21)16(22,23)17(24,25)26)13(28)27(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyACOVZVSVXFHXOI-UHFFFAOYSA-N
MW427.35 g/mol
LogP5.95
Rot. Bonds5

About N,N-dicyclohexyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide

N,N-dicyclohexyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide (PubChem CID 575044) has the molecular formula C17H22F9NO and a molecular weight of 427.35 g/mol. Its IUPAC name is N,N-dicyclohexyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
PubChem CID575044
Molecular FormulaC17H22F9NO
Molecular Weight427.35 g/mol
Exact Mass427.16
IUPAC NameN,N-dicyclohexyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
SMILESO=C(N(C1CCCCC1)C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C17H22F9NO/c18-14(19,15(20,21)16(22,23)17(24,25)26)13(28)27(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyACOVZVSVXFHXOI-UHFFFAOYSA-N
XLogP5.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.35
LogP ≤ 55.95
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-dicyclohexyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The IUPAC name of N,N-dicyclohexyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide (CID 575044) is N,N-dicyclohexyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide.
What is the SMILES notation for N,N-dicyclohexyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The canonical SMILES for N,N-dicyclohexyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide is O=C(N(C1CCCCC1)C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N,N-dicyclohexyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The InChIKey is ACOVZVSVXFHXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F9NO/c18-14(19,15(20,21)16(22,23)17(24,25)26)13(28)27(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2.
What are the key properties of N,N-dicyclohexyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
N,N-dicyclohexyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide has a molecular weight of 427.35 g/mol, XLogP of 5.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide is sourced from PubChem (CID 575044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).