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

C9H12F3N — CID 126710459

IUPAC(3Z)-N-methyl-2-methylidene-5-(trifluoromethyl)hexa-3,5-dien-1-amine
SMILESC=C(/C=C\C(=C)C(F)(F)F)CNC
InChIInChI=1S/C9H12F3N/c1-7(6-13-3)4-5-8(2)9(10,11)12/h4-5,13H,1-2,6H2,3H3/b5-4-
InChIKeyWGLNZJLPGHBRIH-PLNGDYQASA-N
MW191.20 g/mol
LogP2.44
Rot. Bonds4

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

(3Z)-N-methyl-2-methylidene-5-(trifluoromethyl)hexa-3,5-dien-1-amine (PubChem CID 126710459) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is (3Z)-N-methyl-2-methylidene-5-(trifluoromethyl)hexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z)-N-methyl-2-methylidene-5-(trifluoromethyl)hexa-3,5-dien-1-amine
PubChem CID126710459
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name(3Z)-N-methyl-2-methylidene-5-(trifluoromethyl)hexa-3,5-dien-1-amine
SMILESC=C(/C=C\C(=C)C(F)(F)F)CNC
InChIInChI=1S/C9H12F3N/c1-7(6-13-3)4-5-8(2)9(10,11)12/h4-5,13H,1-2,6H2,3H3/b5-4-
InChIKeyWGLNZJLPGHBRIH-PLNGDYQASA-N
XLogP2.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine
CID 70372203
(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 88224148
(3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073825
(2E,4E)-5-fluoro-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 89084822
5-[(1E)-2-fluorobuta-1,3-dienyl]-4-methyl-1,2,3,6-tetrahydropyridine
CID 89167830
(2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine
CID 89228068
(2E)-4-fluoro-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]penta-2,4-dien-1-amine
CID 89269978
(2Z,4Z,6Z)-2-methyl-3-(trifluoromethyl)octa-2,4,6-trien-1-amine
CID 89270021
(2Z,4E,6Z)-3-fluoro-5-(trifluoromethyl)octa-2,4,6-trien-1-amine
CID 89270489
(2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine
CID 89289612
(1E,3Z)-N,5-dimethyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 89302512
(2E,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-1-amine
CID 89371600

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-methyl-2-methylidene-5-(trifluoromethyl)hexa-3,5-dien-1-amine?
The IUPAC name of (3Z)-N-methyl-2-methylidene-5-(trifluoromethyl)hexa-3,5-dien-1-amine (CID 126710459) is (3Z)-N-methyl-2-methylidene-5-(trifluoromethyl)hexa-3,5-dien-1-amine.
What is the SMILES notation for (3Z)-N-methyl-2-methylidene-5-(trifluoromethyl)hexa-3,5-dien-1-amine?
The canonical SMILES for (3Z)-N-methyl-2-methylidene-5-(trifluoromethyl)hexa-3,5-dien-1-amine is C=C(/C=C\C(=C)C(F)(F)F)CNC.
What is the InChIKey of (3Z)-N-methyl-2-methylidene-5-(trifluoromethyl)hexa-3,5-dien-1-amine?
The InChIKey is WGLNZJLPGHBRIH-PLNGDYQASA-N. The full InChI is InChI=1S/C9H12F3N/c1-7(6-13-3)4-5-8(2)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-(trifluoromethyl)hexa-3,5-dien-1-amine?
(3Z)-N-methyl-2-methylidene-5-(trifluoromethyl)hexa-3,5-dien-1-amine has a molecular weight of 191.20 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-methyl-2-methylidene-5-(trifluoromethyl)hexa-3,5-dien-1-amine is sourced from PubChem (CID 126710459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).