N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dienyl]formamide

C8H10F3NO — CID 142104797

IUPACN-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dienyl]formamide
SMILESC/C=C\C(=C/CNC=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-2-3-7(8(9,10)11)4-5-12-6-13/h2-4,6H,5H2,1H3,(H,12,13)/b3-2-,7-4+
InChIKeyGRDWJOZMKPEMQW-UDJLOATDSA-N
MW193.17 g/mol
LogP1.80
Rot. Bonds4

About N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dienyl]formamide

N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dienyl]formamide (PubChem CID 142104797) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dienyl]formamide.

Molecular Properties

Compound NameN-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dienyl]formamide
PubChem CID142104797
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC NameN-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dienyl]formamide
SMILESC/C=C\C(=C/CNC=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c1-2-3-7(8(9,10)11)4-5-12-6-13/h2-4,6H,5H2,1H3,(H,12,13)/b3-2-,7-4+
InChIKeyGRDWJOZMKPEMQW-UDJLOATDSA-N
XLogP1.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-[2-amino-3-ethenylidene-5-(trifluoromethyl)octa-4,6-dienyl]formamide
CID 90860011
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-[(4-fluorocyclohepta-1,3,5-trien-1-yl)methyl]formamide
CID 126690292
ethane;N-[(4Z,6E)-8,8,8-trifluoro-3-methylideneocta-4,6-dienyl]formamide
CID 144442015
N-[(Z,3E)-2-fluoro-3-prop-2-enylidenehept-4-enyl]formamide
CID 144740320
N-[(1E,3Z,5E,7Z)-5-ethyl-10,10,10-trifluoro-2-[(3E)-penta-1,3-dien-2-yl]deca-1,3,5,7-tetraenyl]formamide
CID 167082962
N-[(2E,3Z)-2-butylidene-5-(trifluoromethyl)hexa-3,5-dienyl]formamide
CID 170060818
N-[(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)methyl]formamide
CID 171558050
N-[[4-(trifluoromethyl)cyclohepta-2,4,6-trien-1-yl]methyl]formamide
CID 142217537

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dienyl]formamide?
The IUPAC name of N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dienyl]formamide (CID 142104797) is N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dienyl]formamide.
What is the SMILES notation for N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dienyl]formamide?
The canonical SMILES for N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dienyl]formamide is C/C=C\C(=C/CNC=O)C(F)(F)F.
What is the InChIKey of N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dienyl]formamide?
The InChIKey is GRDWJOZMKPEMQW-UDJLOATDSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-2-3-7(8(9,10)11)4-5-12-6-13/h2-4,6H,5H2,1H3,(H,12,13)/b3-2-,7-4+.
What are the key properties of N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dienyl]formamide?
N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dienyl]formamide has a molecular weight of 193.17 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dienyl]formamide is sourced from PubChem (CID 142104797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).