N-[(E)-5,5,5-trifluoro-4-methyl-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-2-enyl]formamide

C11H13F6NO — CID 143094181

IUPACN-[(E)-5,5,5-trifluoro-4-methyl-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-2-enyl]formamide
SMILESC/C(=C\C(=C/C(C)C(F)(F)F)CNC=O)C(F)(F)F
InChIInChI=1S/C11H13F6NO/c1-7(10(12,13)14)3-9(5-18-6-19)4-8(2)11(15,16)17/h3-4,6-7H,5H2,1-2H3,(H,18,19)/b8-4+,9-3+
InChIKeyUTAIUOOLYDLFER-VBAIDPPHSA-N
MW289.22 g/mol
LogP3.37
Rot. Bonds5

About N-[(E)-5,5,5-trifluoro-4-methyl-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-2-enyl]formamide

N-[(E)-5,5,5-trifluoro-4-methyl-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-2-enyl]formamide (PubChem CID 143094181) has the molecular formula C11H13F6NO and a molecular weight of 289.22 g/mol. Its IUPAC name is N-[(E)-5,5,5-trifluoro-4-methyl-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-2-enyl]formamide.

Molecular Properties

Compound NameN-[(E)-5,5,5-trifluoro-4-methyl-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-2-enyl]formamide
PubChem CID143094181
Molecular FormulaC11H13F6NO
Molecular Weight289.22 g/mol
Exact Mass289.09
IUPAC NameN-[(E)-5,5,5-trifluoro-4-methyl-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-2-enyl]formamide
SMILESC/C(=C\C(=C/C(C)C(F)(F)F)CNC=O)C(F)(F)F
InChIInChI=1S/C11H13F6NO/c1-7(10(12,13)14)3-9(5-18-6-19)4-8(2)11(15,16)17/h3-4,6-7H,5H2,1-2H3,(H,18,19)/b8-4+,9-3+
InChIKeyUTAIUOOLYDLFER-VBAIDPPHSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 53.37
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-[(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
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-[(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)methyl]formamide
CID 171558050
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-[[(2E,4E)-2,4-difluorocycloocta-2,4,7-trien-1-yl]methyl]formamide
CID 142297290
N-[(5-fluorocyclohepta-1,4,6-trien-1-yl)methyl]formamide
CID 142801507
N-[[3,4-bis(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]formamide
CID 142892422
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-[(E)-5,5,5-trifluoro-4-methyl-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-2-enyl]formamide?
The IUPAC name of N-[(E)-5,5,5-trifluoro-4-methyl-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-2-enyl]formamide (CID 143094181) is N-[(E)-5,5,5-trifluoro-4-methyl-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-2-enyl]formamide.
What is the SMILES notation for N-[(E)-5,5,5-trifluoro-4-methyl-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-2-enyl]formamide?
The canonical SMILES for N-[(E)-5,5,5-trifluoro-4-methyl-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-2-enyl]formamide is C/C(=C\C(=C/C(C)C(F)(F)F)CNC=O)C(F)(F)F.
What is the InChIKey of N-[(E)-5,5,5-trifluoro-4-methyl-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-2-enyl]formamide?
The InChIKey is UTAIUOOLYDLFER-VBAIDPPHSA-N. The full InChI is InChI=1S/C11H13F6NO/c1-7(10(12,13)14)3-9(5-18-6-19)4-8(2)11(15,16)17/h3-4,6-7H,5H2,1-2H3,(H,18,19)/b8-4+,9-3+.
What are the key properties of N-[(E)-5,5,5-trifluoro-4-methyl-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-2-enyl]formamide?
N-[(E)-5,5,5-trifluoro-4-methyl-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-2-enyl]formamide has a molecular weight of 289.22 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-5,5,5-trifluoro-4-methyl-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]pent-2-enyl]formamide is sourced from PubChem (CID 143094181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).