N-[(Z)-4,4-difluoronon-2-enyl]nonanamide;ethane

C20H39F2NO — CID 144641608

IUPACN-[(Z)-4,4-difluoronon-2-enyl]nonanamide;ethane
SMILESCC.CCCCCCCCC(=O)NC/C=C\C(F)(F)CCCCC
InChIInChI=1S/C18H33F2NO.C2H6/c1-3-5-7-8-9-10-13-17(22)21-16-12-15-18(19,20)14-11-6-4-2;1-2/h12,15H,3-11,13-14,16H2,1-2H3,(H,21,22);1-2H3/b15-12-;
InChIKeyIMMLWGDGJKLIHM-OBBOLZQKSA-N
MW347.53 g/mol
LogP6.65
Rot. Bonds14

About N-[(Z)-4,4-difluoronon-2-enyl]nonanamide;ethane

N-[(Z)-4,4-difluoronon-2-enyl]nonanamide;ethane (PubChem CID 144641608) has the molecular formula C20H39F2NO and a molecular weight of 347.53 g/mol. Its IUPAC name is N-[(Z)-4,4-difluoronon-2-enyl]nonanamide;ethane.

Molecular Properties

Compound NameN-[(Z)-4,4-difluoronon-2-enyl]nonanamide;ethane
PubChem CID144641608
Molecular FormulaC20H39F2NO
Molecular Weight347.53 g/mol
Exact Mass347.30
IUPAC NameN-[(Z)-4,4-difluoronon-2-enyl]nonanamide;ethane
SMILESCC.CCCCCCCCC(=O)NC/C=C\C(F)(F)CCCCC
InChIInChI=1S/C18H33F2NO.C2H6/c1-3-5-7-8-9-10-13-17(22)21-16-12-15-18(19,20)14-11-6-4-2;1-2/h12,15H,3-11,13-14,16H2,1-2H3,(H,21,22);1-2H3/b15-12-;
InChIKeyIMMLWGDGJKLIHM-OBBOLZQKSA-N
XLogP6.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.53
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4,4-difluoronon-2-enyl]nonanamide;ethane?
The IUPAC name of N-[(Z)-4,4-difluoronon-2-enyl]nonanamide;ethane (CID 144641608) is N-[(Z)-4,4-difluoronon-2-enyl]nonanamide;ethane.
What is the SMILES notation for N-[(Z)-4,4-difluoronon-2-enyl]nonanamide;ethane?
The canonical SMILES for N-[(Z)-4,4-difluoronon-2-enyl]nonanamide;ethane is CC.CCCCCCCCC(=O)NC/C=C\C(F)(F)CCCCC.
What is the InChIKey of N-[(Z)-4,4-difluoronon-2-enyl]nonanamide;ethane?
The InChIKey is IMMLWGDGJKLIHM-OBBOLZQKSA-N. The full InChI is InChI=1S/C18H33F2NO.C2H6/c1-3-5-7-8-9-10-13-17(22)21-16-12-15-18(19,20)14-11-6-4-2;1-2/h12,15H,3-11,13-14,16H2,1-2H3,(H,21,22);1-2H3/b15-12-;.
What are the key properties of N-[(Z)-4,4-difluoronon-2-enyl]nonanamide;ethane?
N-[(Z)-4,4-difluoronon-2-enyl]nonanamide;ethane has a molecular weight of 347.53 g/mol, XLogP of 6.65, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4,4-difluoronon-2-enyl]nonanamide;ethane is sourced from PubChem (CID 144641608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).