(3Z)-N-methyl-2-methylidene-5-(trifluoromethoxy)hexa-3,5-dien-1-amine

C9H12F3NO — CID 143043496

IUPAC(3Z)-N-methyl-2-methylidene-5-(trifluoromethoxy)hexa-3,5-dien-1-amine
SMILESC=C(/C=C\C(=C)OC(F)(F)F)CNC
InChIInChI=1S/C9H12F3NO/c1-7(6-13-3)4-5-8(2)14-9(10,11)12/h4-5,13H,1-2,6H2,3H3/b5-4-
InChIKeyJAYZJMFONDPQTP-PLNGDYQASA-N
MW207.19 g/mol
LogP2.37
Rot. Bonds5

About (3Z)-N-methyl-2-methylidene-5-(trifluoromethoxy)hexa-3,5-dien-1-amine

(3Z)-N-methyl-2-methylidene-5-(trifluoromethoxy)hexa-3,5-dien-1-amine (PubChem CID 143043496) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is (3Z)-N-methyl-2-methylidene-5-(trifluoromethoxy)hexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z)-N-methyl-2-methylidene-5-(trifluoromethoxy)hexa-3,5-dien-1-amine
PubChem CID143043496
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name(3Z)-N-methyl-2-methylidene-5-(trifluoromethoxy)hexa-3,5-dien-1-amine
SMILESC=C(/C=C\C(=C)OC(F)(F)F)CNC
InChIInChI=1S/C9H12F3NO/c1-7(6-13-3)4-5-8(2)14-9(10,11)12/h4-5,13H,1-2,6H2,3H3/b5-4-
InChIKeyJAYZJMFONDPQTP-PLNGDYQASA-N
XLogP2.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-Ethenylidene-6-(trifluoromethoxy)octa-4,6-dien-1-amine
CID 123377337
[5-(Trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine
CID 143615714
(2E,4E)-2-ethenyl-4-(trifluoromethoxy)hexa-2,4-dien-1-amine
CID 144992736
(2E,3Z)-2-ethylidene-5-(trifluoromethoxy)hexa-3,5-dien-1-amine
CID 156716176
(3E,5Z)-3-methyl-7-(trifluoromethoxy)octa-3,5,7-trien-2-amine
CID 162578637
1-[5-[difluoro-(3,3,5-trimethylcyclohepta-1,4,6-trien-1-yl)oxymethyl]-3,3-dimethylcyclohepta-1,4,6-trien-1-yl]-N-methylmethanamine
CID 163698559
N-methyl-1-[5-(trifluoromethoxy)cyclohepta-1,4,6-trien-1-yl]methanamine
CID 142837118
N-[[4-(trifluoromethoxy)cyclohepta-1,3,5-trien-1-yl]methyl]ethanamine
CID 142930266
N-methyl-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine
CID 149496642
N-methyl-6-methylidene-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-amine
CID 162592896
(3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
CID 88576747
(2E,3E)-2-ethylidene-4-methoxy-N-methylhexa-3,5-dien-1-amine
CID 142152851

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-methyl-2-methylidene-5-(trifluoromethoxy)hexa-3,5-dien-1-amine?
The IUPAC name of (3Z)-N-methyl-2-methylidene-5-(trifluoromethoxy)hexa-3,5-dien-1-amine (CID 143043496) is (3Z)-N-methyl-2-methylidene-5-(trifluoromethoxy)hexa-3,5-dien-1-amine.
What is the SMILES notation for (3Z)-N-methyl-2-methylidene-5-(trifluoromethoxy)hexa-3,5-dien-1-amine?
The canonical SMILES for (3Z)-N-methyl-2-methylidene-5-(trifluoromethoxy)hexa-3,5-dien-1-amine is C=C(/C=C\C(=C)OC(F)(F)F)CNC.
What is the InChIKey of (3Z)-N-methyl-2-methylidene-5-(trifluoromethoxy)hexa-3,5-dien-1-amine?
The InChIKey is JAYZJMFONDPQTP-PLNGDYQASA-N. The full InChI is InChI=1S/C9H12F3NO/c1-7(6-13-3)4-5-8(2)14-9(10,11)12/h4-5,13H,1-2,6H2,3H3/b5-4-.
What are the key properties of (3Z)-N-methyl-2-methylidene-5-(trifluoromethoxy)hexa-3,5-dien-1-amine?
(3Z)-N-methyl-2-methylidene-5-(trifluoromethoxy)hexa-3,5-dien-1-amine has a molecular weight of 207.19 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-methyl-2-methylidene-5-(trifluoromethoxy)hexa-3,5-dien-1-amine is sourced from PubChem (CID 143043496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).