5,5,5-trifluoro-4,4-dimethyl-N-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]pentanamide

C15H22F3NO — CID 144746559

IUPAC5,5,5-trifluoro-4,4-dimethyl-N-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]pentanamide
SMILESC=C(C)/C=C\C(=C)CNC(=O)CCC(C)(C)C(F)(F)F
InChIInChI=1S/C15H22F3NO/c1-11(2)6-7-12(3)10-19-13(20)8-9-14(4,5)15(16,17)18/h6-7H,1,3,8-10H2,2,4-5H3,(H,19,20)/b7-6-
InChIKeyPJMKIWDKCKIXRB-SREVYHEPSA-N
MW289.34 g/mol
LogP4.16
Rot. Bonds7

About 5,5,5-trifluoro-4,4-dimethyl-N-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]pentanamide

5,5,5-trifluoro-4,4-dimethyl-N-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]pentanamide (PubChem CID 144746559) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 5,5,5-trifluoro-4,4-dimethyl-N-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]pentanamide.

Molecular Properties

Compound Name5,5,5-trifluoro-4,4-dimethyl-N-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]pentanamide
PubChem CID144746559
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name5,5,5-trifluoro-4,4-dimethyl-N-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]pentanamide
SMILESC=C(C)/C=C\C(=C)CNC(=O)CCC(C)(C)C(F)(F)F
InChIInChI=1S/C15H22F3NO/c1-11(2)6-7-12(3)10-19-13(20)8-9-14(4,5)15(16,17)18/h6-7H,1,3,8-10H2,2,4-5H3,(H,19,20)/b7-6-
InChIKeyPJMKIWDKCKIXRB-SREVYHEPSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-4,4-dimethyl-N-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]pentanamide?
The IUPAC name of 5,5,5-trifluoro-4,4-dimethyl-N-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]pentanamide (CID 144746559) is 5,5,5-trifluoro-4,4-dimethyl-N-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]pentanamide.
What is the SMILES notation for 5,5,5-trifluoro-4,4-dimethyl-N-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]pentanamide?
The canonical SMILES for 5,5,5-trifluoro-4,4-dimethyl-N-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]pentanamide is C=C(C)/C=C\C(=C)CNC(=O)CCC(C)(C)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-4,4-dimethyl-N-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]pentanamide?
The InChIKey is PJMKIWDKCKIXRB-SREVYHEPSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-11(2)6-7-12(3)10-19-13(20)8-9-14(4,5)15(16,17)18/h6-7H,1,3,8-10H2,2,4-5H3,(H,19,20)/b7-6-.
What are the key properties of 5,5,5-trifluoro-4,4-dimethyl-N-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]pentanamide?
5,5,5-trifluoro-4,4-dimethyl-N-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]pentanamide has a molecular weight of 289.34 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-4,4-dimethyl-N-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]pentanamide is sourced from PubChem (CID 144746559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).