(3Z,5Z)-3-[1-(3,4,6-trifluorocyclohexa-1,5-dien-1-yl)ethenyl]hepta-3,5-dienamide

C15H16F3NO — CID 143993629

IUPAC(3Z,5Z)-3-[1-(3,4,6-trifluorocyclohexa-1,5-dien-1-yl)ethenyl]hepta-3,5-dienamide
SMILESC=C(C1=CC(F)C(F)C=C1F)/C(=C\C=C/C)CC(N)=O
InChIInChI=1S/C15H16F3NO/c1-3-4-5-10(6-15(19)20)9(2)11-7-13(17)14(18)8-12(11)16/h3-5,7-8,13-14H,2,6H2,1H3,(H2,19,20)/b4-3-,10-5-
InChIKeyKHMHNXWELMFKIK-QQTPKPIZSA-N
MW283.29 g/mol
LogP3.39
Rot. Bonds5

About (3Z,5Z)-3-[1-(3,4,6-trifluorocyclohexa-1,5-dien-1-yl)ethenyl]hepta-3,5-dienamide

(3Z,5Z)-3-[1-(3,4,6-trifluorocyclohexa-1,5-dien-1-yl)ethenyl]hepta-3,5-dienamide (PubChem CID 143993629) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is (3Z,5Z)-3-[1-(3,4,6-trifluorocyclohexa-1,5-dien-1-yl)ethenyl]hepta-3,5-dienamide.

Molecular Properties

Compound Name(3Z,5Z)-3-[1-(3,4,6-trifluorocyclohexa-1,5-dien-1-yl)ethenyl]hepta-3,5-dienamide
PubChem CID143993629
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC Name(3Z,5Z)-3-[1-(3,4,6-trifluorocyclohexa-1,5-dien-1-yl)ethenyl]hepta-3,5-dienamide
SMILESC=C(C1=CC(F)C(F)C=C1F)/C(=C\C=C/C)CC(N)=O
InChIInChI=1S/C15H16F3NO/c1-3-4-5-10(6-15(19)20)9(2)11-7-13(17)14(18)8-12(11)16/h3-5,7-8,13-14H,2,6H2,1H3,(H2,19,20)/b4-3-,10-5-
InChIKeyKHMHNXWELMFKIK-QQTPKPIZSA-N
XLogP3.39
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.39
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 (3Z,5Z)-3-[1-(3,4,6-trifluorocyclohexa-1,5-dien-1-yl)ethenyl]hepta-3,5-dienamide?
The IUPAC name of (3Z,5Z)-3-[1-(3,4,6-trifluorocyclohexa-1,5-dien-1-yl)ethenyl]hepta-3,5-dienamide (CID 143993629) is (3Z,5Z)-3-[1-(3,4,6-trifluorocyclohexa-1,5-dien-1-yl)ethenyl]hepta-3,5-dienamide.
What is the SMILES notation for (3Z,5Z)-3-[1-(3,4,6-trifluorocyclohexa-1,5-dien-1-yl)ethenyl]hepta-3,5-dienamide?
The canonical SMILES for (3Z,5Z)-3-[1-(3,4,6-trifluorocyclohexa-1,5-dien-1-yl)ethenyl]hepta-3,5-dienamide is C=C(C1=CC(F)C(F)C=C1F)/C(=C\C=C/C)CC(N)=O.
What is the InChIKey of (3Z,5Z)-3-[1-(3,4,6-trifluorocyclohexa-1,5-dien-1-yl)ethenyl]hepta-3,5-dienamide?
The InChIKey is KHMHNXWELMFKIK-QQTPKPIZSA-N. The full InChI is InChI=1S/C15H16F3NO/c1-3-4-5-10(6-15(19)20)9(2)11-7-13(17)14(18)8-12(11)16/h3-5,7-8,13-14H,2,6H2,1H3,(H2,19,20)/b4-3-,10-5-.
What are the key properties of (3Z,5Z)-3-[1-(3,4,6-trifluorocyclohexa-1,5-dien-1-yl)ethenyl]hepta-3,5-dienamide?
(3Z,5Z)-3-[1-(3,4,6-trifluorocyclohexa-1,5-dien-1-yl)ethenyl]hepta-3,5-dienamide has a molecular weight of 283.29 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3-[1-(3,4,6-trifluorocyclohexa-1,5-dien-1-yl)ethenyl]hepta-3,5-dienamide is sourced from PubChem (CID 143993629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).