N-[2-amino-3-ethenylidene-5-(trifluoromethyl)octa-4,6-dienyl]formamide

C12H15F3N2O — CID 90860011

IUPACN-[2-amino-3-ethenylidene-5-(trifluoromethyl)octa-4,6-dienyl]formamide
SMILESC=C=C(C=C(C=CC)C(F)(F)F)C(N)CNC=O
InChIInChI=1S/C12H15F3N2O/c1-3-5-10(12(13,14)15)6-9(4-2)11(16)7-17-8-18/h3,5-6,8,11H,2,7,16H2,1H3,(H,17,18)
InChIKeyWLNSMGYHYWJWMP-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.84
Rot. Bonds6

About N-[2-amino-3-ethenylidene-5-(trifluoromethyl)octa-4,6-dienyl]formamide

N-[2-amino-3-ethenylidene-5-(trifluoromethyl)octa-4,6-dienyl]formamide (PubChem CID 90860011) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is N-[2-amino-3-ethenylidene-5-(trifluoromethyl)octa-4,6-dienyl]formamide.

Molecular Properties

Compound NameN-[2-amino-3-ethenylidene-5-(trifluoromethyl)octa-4,6-dienyl]formamide
PubChem CID90860011
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC NameN-[2-amino-3-ethenylidene-5-(trifluoromethyl)octa-4,6-dienyl]formamide
SMILESC=C=C(C=C(C=CC)C(F)(F)F)C(N)CNC=O
InChIInChI=1S/C12H15F3N2O/c1-3-5-10(12(13,14)15)6-9(4-2)11(16)7-17-8-18/h3,5-6,8,11H,2,7,16H2,1H3,(H,17,18)
InChIKeyWLNSMGYHYWJWMP-UHFFFAOYSA-N
XLogP1.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.84
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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Related Compounds

(2E,4E,6E)-3,5-bis(trifluoromethyl)octa-2,4,6-triene
CID 143161230
(4E,6Z)-3,5-bis(trifluoromethyl)octa-2,4,6-triene
CID 173482598
ethane;(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene
CID 144657278
N-[(3E)-2-hydroxy-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]formamide
CID 164901972
N-[(Z)-2-methylidenepent-3-enyl]formamide
CID 143724109
N-(2-fluoro-2,3,3-trimethylbutyl)formamide
CID 156718150
(4E,6Z)-4-(trifluoromethyl)octa-2,4,6-triene
CID 146353509
(2S,7Z,9E)-2-amino-6-methylidene-9-(trifluoromethyl)undeca-7,9-dien-4-ynoic acid
CID 162608381
N-(2-hydroxy-3,3-dimethylbutyl)formamide
CID 130752227
1-amino-2-formamidoethanesulfonic acid
CID 139212047
(E)-4-[[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-3-en-2-amine
CID 91527004
(1Z,3Z)-1-N-(2-aminopropyl)penta-1,3-diene-1,2-diamine
CID 163979290

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-3-ethenylidene-5-(trifluoromethyl)octa-4,6-dienyl]formamide?
The IUPAC name of N-[2-amino-3-ethenylidene-5-(trifluoromethyl)octa-4,6-dienyl]formamide (CID 90860011) is N-[2-amino-3-ethenylidene-5-(trifluoromethyl)octa-4,6-dienyl]formamide.
What is the SMILES notation for N-[2-amino-3-ethenylidene-5-(trifluoromethyl)octa-4,6-dienyl]formamide?
The canonical SMILES for N-[2-amino-3-ethenylidene-5-(trifluoromethyl)octa-4,6-dienyl]formamide is C=C=C(C=C(C=CC)C(F)(F)F)C(N)CNC=O.
What is the InChIKey of N-[2-amino-3-ethenylidene-5-(trifluoromethyl)octa-4,6-dienyl]formamide?
The InChIKey is WLNSMGYHYWJWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-3-5-10(12(13,14)15)6-9(4-2)11(16)7-17-8-18/h3,5-6,8,11H,2,7,16H2,1H3,(H,17,18).
What are the key properties of N-[2-amino-3-ethenylidene-5-(trifluoromethyl)octa-4,6-dienyl]formamide?
N-[2-amino-3-ethenylidene-5-(trifluoromethyl)octa-4,6-dienyl]formamide has a molecular weight of 260.26 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-3-ethenylidene-5-(trifluoromethyl)octa-4,6-dienyl]formamide is sourced from PubChem (CID 90860011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).