(3Z,5E)-N-methyl-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine

C9H12F3NO — CID 143206141

IUPAC(3Z,5E)-N-methyl-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine
SMILESC=C(/C=C\C(=C/C)OC(F)(F)F)NC
InChIInChI=1S/C9H12F3NO/c1-4-8(14-9(10,11)12)6-5-7(2)13-3/h4-6,13H,2H2,1,3H3/b6-5-,8-4+
InChIKeyWDNCWOOZZLNXHZ-QNMAEOQASA-N
MW207.19 g/mol
LogP2.72
Rot. Bonds4

About (3Z,5E)-N-methyl-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine

(3Z,5E)-N-methyl-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine (PubChem CID 143206141) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is (3Z,5E)-N-methyl-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z,5E)-N-methyl-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine
PubChem CID143206141
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC Name(3Z,5E)-N-methyl-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine
SMILESC=C(/C=C\C(=C/C)OC(F)(F)F)NC
InChIInChI=1S/C9H12F3NO/c1-4-8(14-9(10,11)12)6-5-7(2)13-3/h4-6,13H,2H2,1,3H3/b6-5-,8-4+
InChIKeyWDNCWOOZZLNXHZ-QNMAEOQASA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.72
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

5-(difluoromethoxy)-N-methylcyclohepta-1,4,6-trien-1-amine
CID 134365783
4-fluoro-3-methoxy-N-methylcyclohepta-1,3,6-trien-1-amine
CID 142969724
(3Z)-N-methyl-5-(trifluoromethoxy)hexa-1,3,5-trien-2-amine
CID 143206173
(3E,5E)-4-fluoro-5-methoxy-N-methylhepta-1,3,5-trien-2-amine
CID 143206210
(3E)-4-fluoro-5-methoxy-N-methylhexa-1,3,5-trien-2-amine
CID 143206346
(3E)-5-fluoro-4-methoxy-N-methylhexa-1,3,5-trien-2-amine
CID 143206396
(3Z)-4-(difluoromethoxy)-N-methylhexa-1,3,5-trien-3-amine
CID 143782131
(3Z,5E)-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine
CID 145179777
(2E,4Z)-N-methyl-6-(trifluoromethoxy)hexa-2,4-dien-3-amine
CID 155197758
(3Z,5E)-6-fluoro-N-methyl-4-propan-2-yloxyhepta-1,3,5-trien-3-amine
CID 166943959
N-methyl-6-(trifluoromethyl)-2H-pyran-4-amine;hydrochloride
CID 171487744
(1E,6Z)-N-methyl-5-(trifluoromethoxy)cycloocta-1,4,6-trien-1-amine
CID 143062489

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-N-methyl-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine?
The IUPAC name of (3Z,5E)-N-methyl-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine (CID 143206141) is (3Z,5E)-N-methyl-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z,5E)-N-methyl-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine?
The canonical SMILES for (3Z,5E)-N-methyl-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine is C=C(/C=C\C(=C/C)OC(F)(F)F)NC.
What is the InChIKey of (3Z,5E)-N-methyl-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine?
The InChIKey is WDNCWOOZZLNXHZ-QNMAEOQASA-N. The full InChI is InChI=1S/C9H12F3NO/c1-4-8(14-9(10,11)12)6-5-7(2)13-3/h4-6,13H,2H2,1,3H3/b6-5-,8-4+.
What are the key properties of (3Z,5E)-N-methyl-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine?
(3Z,5E)-N-methyl-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine has a molecular weight of 207.19 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-N-methyl-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine is sourced from PubChem (CID 143206141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).