(3E,5Z)-3,6-dimethyl-7-(trifluoromethoxy)hepta-1,3,5-trien-4-amine

C10H14F3NO — CID 162597367

IUPAC(3E,5Z)-3,6-dimethyl-7-(trifluoromethoxy)hepta-1,3,5-trien-4-amine
SMILESC=C/C(C)=C(N)\C=C(\C)COC(F)(F)F
InChIInChI=1S/C10H14F3NO/c1-4-8(3)9(14)5-7(2)6-15-10(11,12)13/h4-5H,1,6,14H2,2-3H3/b7-5-,9-8+
InChIKeyFYRIJZFZHFIESP-SUHGFZJFSA-N
MW221.22 g/mol
LogP2.89
Rot. Bonds4

About (3E,5Z)-3,6-dimethyl-7-(trifluoromethoxy)hepta-1,3,5-trien-4-amine

(3E,5Z)-3,6-dimethyl-7-(trifluoromethoxy)hepta-1,3,5-trien-4-amine (PubChem CID 162597367) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is (3E,5Z)-3,6-dimethyl-7-(trifluoromethoxy)hepta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3E,5Z)-3,6-dimethyl-7-(trifluoromethoxy)hepta-1,3,5-trien-4-amine
PubChem CID162597367
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name(3E,5Z)-3,6-dimethyl-7-(trifluoromethoxy)hepta-1,3,5-trien-4-amine
SMILESC=C/C(C)=C(N)\C=C(\C)COC(F)(F)F
InChIInChI=1S/C10H14F3NO/c1-4-8(3)9(14)5-7(2)6-15-10(11,12)13/h4-5H,1,6,14H2,2-3H3/b7-5-,9-8+
InChIKeyFYRIJZFZHFIESP-SUHGFZJFSA-N
XLogP2.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-3,6-dimethyl-7-(trifluoromethoxy)hepta-1,3,5-trien-4-amine?
The IUPAC name of (3E,5Z)-3,6-dimethyl-7-(trifluoromethoxy)hepta-1,3,5-trien-4-amine (CID 162597367) is (3E,5Z)-3,6-dimethyl-7-(trifluoromethoxy)hepta-1,3,5-trien-4-amine.
What is the SMILES notation for (3E,5Z)-3,6-dimethyl-7-(trifluoromethoxy)hepta-1,3,5-trien-4-amine?
The canonical SMILES for (3E,5Z)-3,6-dimethyl-7-(trifluoromethoxy)hepta-1,3,5-trien-4-amine is C=C/C(C)=C(N)\C=C(\C)COC(F)(F)F.
What is the InChIKey of (3E,5Z)-3,6-dimethyl-7-(trifluoromethoxy)hepta-1,3,5-trien-4-amine?
The InChIKey is FYRIJZFZHFIESP-SUHGFZJFSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-4-8(3)9(14)5-7(2)6-15-10(11,12)13/h4-5H,1,6,14H2,2-3H3/b7-5-,9-8+.
What are the key properties of (3E,5Z)-3,6-dimethyl-7-(trifluoromethoxy)hepta-1,3,5-trien-4-amine?
(3E,5Z)-3,6-dimethyl-7-(trifluoromethoxy)hepta-1,3,5-trien-4-amine has a molecular weight of 221.22 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3,6-dimethyl-7-(trifluoromethoxy)hepta-1,3,5-trien-4-amine is sourced from PubChem (CID 162597367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).