(5Z)-3-(2,2-difluoropropyl)-4-methylocta-1,5,7-trien-2-amine

C12H19F2N — CID 131995515

IUPAC(5Z)-3-(2,2-difluoropropyl)-4-methylocta-1,5,7-trien-2-amine
SMILESC=C/C=C\C(C)C(CC(C)(F)F)C(=C)N
InChIInChI=1S/C12H19F2N/c1-5-6-7-9(2)11(10(3)15)8-12(4,13)14/h5-7,9,11H,1,3,8,15H2,2,4H3/b7-6-
InChIKeyUOXBBDWTHZXDFV-SREVYHEPSA-N
MW215.29 g/mol
LogP3.50
Rot. Bonds6

About (5Z)-3-(2,2-difluoropropyl)-4-methylocta-1,5,7-trien-2-amine

(5Z)-3-(2,2-difluoropropyl)-4-methylocta-1,5,7-trien-2-amine (PubChem CID 131995515) has the molecular formula C12H19F2N and a molecular weight of 215.29 g/mol. Its IUPAC name is (5Z)-3-(2,2-difluoropropyl)-4-methylocta-1,5,7-trien-2-amine.

Molecular Properties

Compound Name(5Z)-3-(2,2-difluoropropyl)-4-methylocta-1,5,7-trien-2-amine
PubChem CID131995515
Molecular FormulaC12H19F2N
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(5Z)-3-(2,2-difluoropropyl)-4-methylocta-1,5,7-trien-2-amine
SMILESC=C/C=C\C(C)C(CC(C)(F)F)C(=C)N
InChIInChI=1S/C12H19F2N/c1-5-6-7-9(2)11(10(3)15)8-12(4,13)14/h5-7,9,11H,1,3,8,15H2,2,4H3/b7-6-
InChIKeyUOXBBDWTHZXDFV-SREVYHEPSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5Z)-3-(2,2-difluoropropyl)-4-methylocta-1,5,7-trien-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(2,2-difluoropropyl)-4-methylocta-1,5,7-trien-2-amine?
The IUPAC name of (5Z)-3-(2,2-difluoropropyl)-4-methylocta-1,5,7-trien-2-amine (CID 131995515) is (5Z)-3-(2,2-difluoropropyl)-4-methylocta-1,5,7-trien-2-amine.
What is the SMILES notation for (5Z)-3-(2,2-difluoropropyl)-4-methylocta-1,5,7-trien-2-amine?
The canonical SMILES for (5Z)-3-(2,2-difluoropropyl)-4-methylocta-1,5,7-trien-2-amine is C=C/C=C\C(C)C(CC(C)(F)F)C(=C)N.
What is the InChIKey of (5Z)-3-(2,2-difluoropropyl)-4-methylocta-1,5,7-trien-2-amine?
The InChIKey is UOXBBDWTHZXDFV-SREVYHEPSA-N. The full InChI is InChI=1S/C12H19F2N/c1-5-6-7-9(2)11(10(3)15)8-12(4,13)14/h5-7,9,11H,1,3,8,15H2,2,4H3/b7-6-.
What are the key properties of (5Z)-3-(2,2-difluoropropyl)-4-methylocta-1,5,7-trien-2-amine?
(5Z)-3-(2,2-difluoropropyl)-4-methylocta-1,5,7-trien-2-amine has a molecular weight of 215.29 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(2,2-difluoropropyl)-4-methylocta-1,5,7-trien-2-amine is sourced from PubChem (CID 131995515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).