(3E,5Z)-4-(difluoromethyl)-5-ethylocta-3,5,7-trien-3-amine

C11H17F2N — CID 89205391

IUPAC(3E,5Z)-4-(difluoromethyl)-5-ethylocta-3,5,7-trien-3-amine
SMILESC=C/C=C(CC)\C(=C(/N)CC)C(F)F
InChIInChI=1S/C11H17F2N/c1-4-7-8(5-2)10(11(12)13)9(14)6-3/h4,7,11H,1,5-6,14H2,2-3H3/b8-7-,10-9+
InChIKeyOHUABSDNMOUPIZ-UQGDGPGGSA-N
MW201.26 g/mol
LogP3.40
Rot. Bonds5

About (3E,5Z)-4-(difluoromethyl)-5-ethylocta-3,5,7-trien-3-amine

(3E,5Z)-4-(difluoromethyl)-5-ethylocta-3,5,7-trien-3-amine (PubChem CID 89205391) has the molecular formula C11H17F2N and a molecular weight of 201.26 g/mol. Its IUPAC name is (3E,5Z)-4-(difluoromethyl)-5-ethylocta-3,5,7-trien-3-amine.

Molecular Properties

Compound Name(3E,5Z)-4-(difluoromethyl)-5-ethylocta-3,5,7-trien-3-amine
PubChem CID89205391
Molecular FormulaC11H17F2N
Molecular Weight201.26 g/mol
Exact Mass201.13
IUPAC Name(3E,5Z)-4-(difluoromethyl)-5-ethylocta-3,5,7-trien-3-amine
SMILESC=C/C=C(CC)\C(=C(/N)CC)C(F)F
InChIInChI=1S/C11H17F2N/c1-4-7-8(5-2)10(11(12)13)9(14)6-3/h4,7,11H,1,5-6,14H2,2-3H3/b8-7-,10-9+
InChIKeyOHUABSDNMOUPIZ-UQGDGPGGSA-N
XLogP3.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-4-(difluoromethyl)-5-ethylocta-3,5,7-trien-3-amine?
The IUPAC name of (3E,5Z)-4-(difluoromethyl)-5-ethylocta-3,5,7-trien-3-amine (CID 89205391) is (3E,5Z)-4-(difluoromethyl)-5-ethylocta-3,5,7-trien-3-amine.
What is the SMILES notation for (3E,5Z)-4-(difluoromethyl)-5-ethylocta-3,5,7-trien-3-amine?
The canonical SMILES for (3E,5Z)-4-(difluoromethyl)-5-ethylocta-3,5,7-trien-3-amine is C=C/C=C(CC)\C(=C(/N)CC)C(F)F.
What is the InChIKey of (3E,5Z)-4-(difluoromethyl)-5-ethylocta-3,5,7-trien-3-amine?
The InChIKey is OHUABSDNMOUPIZ-UQGDGPGGSA-N. The full InChI is InChI=1S/C11H17F2N/c1-4-7-8(5-2)10(11(12)13)9(14)6-3/h4,7,11H,1,5-6,14H2,2-3H3/b8-7-,10-9+.
What are the key properties of (3E,5Z)-4-(difluoromethyl)-5-ethylocta-3,5,7-trien-3-amine?
(3E,5Z)-4-(difluoromethyl)-5-ethylocta-3,5,7-trien-3-amine has a molecular weight of 201.26 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-(difluoromethyl)-5-ethylocta-3,5,7-trien-3-amine is sourced from PubChem (CID 89205391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).