N-[(1Z,3Z)-7,7,7-trifluoro-6-hydroxyhepta-1,3-dienyl]formamide

C8H10F3NO2 — CID 162437268

IUPACN-[(1Z,3Z)-7,7,7-trifluoro-6-hydroxyhepta-1,3-dienyl]formamide
SMILESO=CN/C=C\C=C/CC(O)C(F)(F)F
InChIInChI=1S/C8H10F3NO2/c9-8(10,11)7(14)4-2-1-3-5-12-6-13/h1-3,5-7,14H,4H2,(H,12,13)/b2-1-,5-3-
InChIKeyOHTTXPGKDWTDQB-NWJCXACMSA-N
MW209.17 g/mol
LogP1.12
Rot. Bonds5

About N-[(1Z,3Z)-7,7,7-trifluoro-6-hydroxyhepta-1,3-dienyl]formamide

N-[(1Z,3Z)-7,7,7-trifluoro-6-hydroxyhepta-1,3-dienyl]formamide (PubChem CID 162437268) has the molecular formula C8H10F3NO2 and a molecular weight of 209.17 g/mol. Its IUPAC name is N-[(1Z,3Z)-7,7,7-trifluoro-6-hydroxyhepta-1,3-dienyl]formamide.

Molecular Properties

Compound NameN-[(1Z,3Z)-7,7,7-trifluoro-6-hydroxyhepta-1,3-dienyl]formamide
PubChem CID162437268
Molecular FormulaC8H10F3NO2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC NameN-[(1Z,3Z)-7,7,7-trifluoro-6-hydroxyhepta-1,3-dienyl]formamide
SMILESO=CN/C=C\C=C/CC(O)C(F)(F)F
InChIInChI=1S/C8H10F3NO2/c9-8(10,11)7(14)4-2-1-3-5-12-6-13/h1-3,5-7,14H,4H2,(H,12,13)/b2-1-,5-3-
InChIKeyOHTTXPGKDWTDQB-NWJCXACMSA-N
XLogP1.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3Z)-7,7,7-trifluoro-6-hydroxyhepta-1,3-dienyl]formamide?
The IUPAC name of N-[(1Z,3Z)-7,7,7-trifluoro-6-hydroxyhepta-1,3-dienyl]formamide (CID 162437268) is N-[(1Z,3Z)-7,7,7-trifluoro-6-hydroxyhepta-1,3-dienyl]formamide.
What is the SMILES notation for N-[(1Z,3Z)-7,7,7-trifluoro-6-hydroxyhepta-1,3-dienyl]formamide?
The canonical SMILES for N-[(1Z,3Z)-7,7,7-trifluoro-6-hydroxyhepta-1,3-dienyl]formamide is O=CN/C=C\C=C/CC(O)C(F)(F)F.
What is the InChIKey of N-[(1Z,3Z)-7,7,7-trifluoro-6-hydroxyhepta-1,3-dienyl]formamide?
The InChIKey is OHTTXPGKDWTDQB-NWJCXACMSA-N. The full InChI is InChI=1S/C8H10F3NO2/c9-8(10,11)7(14)4-2-1-3-5-12-6-13/h1-3,5-7,14H,4H2,(H,12,13)/b2-1-,5-3-.
What are the key properties of N-[(1Z,3Z)-7,7,7-trifluoro-6-hydroxyhepta-1,3-dienyl]formamide?
N-[(1Z,3Z)-7,7,7-trifluoro-6-hydroxyhepta-1,3-dienyl]formamide has a molecular weight of 209.17 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3Z)-7,7,7-trifluoro-6-hydroxyhepta-1,3-dienyl]formamide is sourced from PubChem (CID 162437268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).