N-[(2E,4E)-2-ethenyl-6,6,6-trifluoro-5-methylhexa-2,4-dienyl]formamide

C10H12F3NO — CID 143836467

IUPACN-[(2E,4E)-2-ethenyl-6,6,6-trifluoro-5-methylhexa-2,4-dienyl]formamide
SMILESC=C/C(=C\C=C(/C)C(F)(F)F)CNC=O
InChIInChI=1S/C10H12F3NO/c1-3-9(6-14-7-15)5-4-8(2)10(11,12)13/h3-5,7H,1,6H2,2H3,(H,14,15)/b8-4+,9-5+
InChIKeyALSLSXCEEHTGBA-KBXRYBNXSA-N
MW219.21 g/mol
LogP2.35
Rot. Bonds5

About N-[(2E,4E)-2-ethenyl-6,6,6-trifluoro-5-methylhexa-2,4-dienyl]formamide

N-[(2E,4E)-2-ethenyl-6,6,6-trifluoro-5-methylhexa-2,4-dienyl]formamide (PubChem CID 143836467) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is N-[(2E,4E)-2-ethenyl-6,6,6-trifluoro-5-methylhexa-2,4-dienyl]formamide.

Molecular Properties

Compound NameN-[(2E,4E)-2-ethenyl-6,6,6-trifluoro-5-methylhexa-2,4-dienyl]formamide
PubChem CID143836467
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC NameN-[(2E,4E)-2-ethenyl-6,6,6-trifluoro-5-methylhexa-2,4-dienyl]formamide
SMILESC=C/C(=C\C=C(/C)C(F)(F)F)CNC=O
InChIInChI=1S/C10H12F3NO/c1-3-9(6-14-7-15)5-4-8(2)10(11,12)13/h3-5,7H,1,6H2,2H3,(H,14,15)/b8-4+,9-5+
InChIKeyALSLSXCEEHTGBA-KBXRYBNXSA-N
XLogP2.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R,3E,5E)-6-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]formamide
CID 88935034
N-[(2E,4Z)-3,5-difluoro-4-(trifluoromethyl)hepta-2,4-dienyl]formamide
CID 89214983
N-[[(4S)-4-fluorocyclohexa-1,5-dien-1-yl]methyl]formamide
CID 117997701
N-(2-ethylidene-5-fluorohexa-3,5-dienyl)formamide
CID 123556775
N-[(2Z)-2-(fluoromethylidene)but-3-enyl]formamide
CID 124181229
N-[(2E,4E)-2-ethenyl-6,6,6-trifluorohexa-2,4-dienyl]acetamide
CID 126607195
ethane;N-[(4Z,6E)-8,8,8-trifluoro-3-methylideneocta-4,6-dienyl]formamide
CID 144442015
N-[(2E,3Z)-2-butylidene-5-(trifluoromethyl)hexa-3,5-dienyl]formamide
CID 170060818
N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dienyl]formamide
CID 142104797
N-[[4-(trifluoromethyl)cyclohepta-2,4,6-trien-1-yl]methyl]formamide
CID 142217537
N-[(5-fluorocyclohepta-1,4,6-trien-1-yl)methyl]formamide
CID 142801507
N-[[3,6-bis(trifluoromethyl)cyclohepta-1,3,4,6-tetraen-1-yl]methyl]formamide
CID 142892441

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4E)-2-ethenyl-6,6,6-trifluoro-5-methylhexa-2,4-dienyl]formamide?
The IUPAC name of N-[(2E,4E)-2-ethenyl-6,6,6-trifluoro-5-methylhexa-2,4-dienyl]formamide (CID 143836467) is N-[(2E,4E)-2-ethenyl-6,6,6-trifluoro-5-methylhexa-2,4-dienyl]formamide.
What is the SMILES notation for N-[(2E,4E)-2-ethenyl-6,6,6-trifluoro-5-methylhexa-2,4-dienyl]formamide?
The canonical SMILES for N-[(2E,4E)-2-ethenyl-6,6,6-trifluoro-5-methylhexa-2,4-dienyl]formamide is C=C/C(=C\C=C(/C)C(F)(F)F)CNC=O.
What is the InChIKey of N-[(2E,4E)-2-ethenyl-6,6,6-trifluoro-5-methylhexa-2,4-dienyl]formamide?
The InChIKey is ALSLSXCEEHTGBA-KBXRYBNXSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-3-9(6-14-7-15)5-4-8(2)10(11,12)13/h3-5,7H,1,6H2,2H3,(H,14,15)/b8-4+,9-5+.
What are the key properties of N-[(2E,4E)-2-ethenyl-6,6,6-trifluoro-5-methylhexa-2,4-dienyl]formamide?
N-[(2E,4E)-2-ethenyl-6,6,6-trifluoro-5-methylhexa-2,4-dienyl]formamide has a molecular weight of 219.21 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4E)-2-ethenyl-6,6,6-trifluoro-5-methylhexa-2,4-dienyl]formamide is sourced from PubChem (CID 143836467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).