(4E,6Z)-N-(3-amino-2,2-difluoropropyl)-4,8-dimethylnona-4,6,8-trienamide

C14H22F2N2O — CID 130374426

IUPAC(4E,6Z)-N-(3-amino-2,2-difluoropropyl)-4,8-dimethylnona-4,6,8-trienamide
SMILESC=C(C)/C=C\C=C(/C)CCC(=O)NCC(F)(F)CN
InChIInChI=1S/C14H22F2N2O/c1-11(2)5-4-6-12(3)7-8-13(19)18-10-14(15,16)9-17/h4-6H,1,7-10,17H2,2-3H3,(H,18,19)/b5-4-,12-6+
InChIKeyQMEBDJGFYZKEGC-QENXGIAESA-N
MW272.34 g/mol
LogP2.56
Rot. Bonds8

About (4E,6Z)-N-(3-amino-2,2-difluoropropyl)-4,8-dimethylnona-4,6,8-trienamide

(4E,6Z)-N-(3-amino-2,2-difluoropropyl)-4,8-dimethylnona-4,6,8-trienamide (PubChem CID 130374426) has the molecular formula C14H22F2N2O and a molecular weight of 272.34 g/mol. Its IUPAC name is (4E,6Z)-N-(3-amino-2,2-difluoropropyl)-4,8-dimethylnona-4,6,8-trienamide.

Molecular Properties

Compound Name(4E,6Z)-N-(3-amino-2,2-difluoropropyl)-4,8-dimethylnona-4,6,8-trienamide
PubChem CID130374426
Molecular FormulaC14H22F2N2O
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name(4E,6Z)-N-(3-amino-2,2-difluoropropyl)-4,8-dimethylnona-4,6,8-trienamide
SMILESC=C(C)/C=C\C=C(/C)CCC(=O)NCC(F)(F)CN
InChIInChI=1S/C14H22F2N2O/c1-11(2)5-4-6-12(3)7-8-13(19)18-10-14(15,16)9-17/h4-6H,1,7-10,17H2,2-3H3,(H,18,19)/b5-4-,12-6+
InChIKeyQMEBDJGFYZKEGC-QENXGIAESA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-N-(3-amino-2,2-difluoropropyl)-4,8-dimethylnona-4,6,8-trienamide?
The IUPAC name of (4E,6Z)-N-(3-amino-2,2-difluoropropyl)-4,8-dimethylnona-4,6,8-trienamide (CID 130374426) is (4E,6Z)-N-(3-amino-2,2-difluoropropyl)-4,8-dimethylnona-4,6,8-trienamide.
What is the SMILES notation for (4E,6Z)-N-(3-amino-2,2-difluoropropyl)-4,8-dimethylnona-4,6,8-trienamide?
The canonical SMILES for (4E,6Z)-N-(3-amino-2,2-difluoropropyl)-4,8-dimethylnona-4,6,8-trienamide is C=C(C)/C=C\C=C(/C)CCC(=O)NCC(F)(F)CN.
What is the InChIKey of (4E,6Z)-N-(3-amino-2,2-difluoropropyl)-4,8-dimethylnona-4,6,8-trienamide?
The InChIKey is QMEBDJGFYZKEGC-QENXGIAESA-N. The full InChI is InChI=1S/C14H22F2N2O/c1-11(2)5-4-6-12(3)7-8-13(19)18-10-14(15,16)9-17/h4-6H,1,7-10,17H2,2-3H3,(H,18,19)/b5-4-,12-6+.
What are the key properties of (4E,6Z)-N-(3-amino-2,2-difluoropropyl)-4,8-dimethylnona-4,6,8-trienamide?
(4E,6Z)-N-(3-amino-2,2-difluoropropyl)-4,8-dimethylnona-4,6,8-trienamide has a molecular weight of 272.34 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-N-(3-amino-2,2-difluoropropyl)-4,8-dimethylnona-4,6,8-trienamide is sourced from PubChem (CID 130374426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).