(3Z)-4-tert-butyl-2-fluorohexa-1,3,5-trien-3-amine

C10H16FN — CID 146377667

IUPAC(3Z)-4-tert-butyl-2-fluorohexa-1,3,5-trien-3-amine
SMILESC=C/C(=C(/N)C(=C)F)C(C)(C)C
InChIInChI=1S/C10H16FN/c1-6-8(10(3,4)5)9(12)7(2)11/h6H,1-2,12H2,3-5H3/b9-8-
InChIKeyYATULWFMHZNXQQ-HJWRWDBZSA-N
MW169.24 g/mol
LogP2.91
Rot. Bonds2

About (3Z)-4-tert-butyl-2-fluorohexa-1,3,5-trien-3-amine

(3Z)-4-tert-butyl-2-fluorohexa-1,3,5-trien-3-amine (PubChem CID 146377667) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (3Z)-4-tert-butyl-2-fluorohexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3Z)-4-tert-butyl-2-fluorohexa-1,3,5-trien-3-amine
PubChem CID146377667
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(3Z)-4-tert-butyl-2-fluorohexa-1,3,5-trien-3-amine
SMILESC=C/C(=C(/N)C(=C)F)C(C)(C)C
InChIInChI=1S/C10H16FN/c1-6-8(10(3,4)5)9(12)7(2)11/h6H,1-2,12H2,3-5H3/b9-8-
InChIKeyYATULWFMHZNXQQ-HJWRWDBZSA-N
XLogP2.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z)-4-tert-butyl-2-fluorohexa-1,3,5-trien-3-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 (3Z)-4-tert-butyl-2-fluorohexa-1,3,5-trien-3-amine?
The IUPAC name of (3Z)-4-tert-butyl-2-fluorohexa-1,3,5-trien-3-amine (CID 146377667) is (3Z)-4-tert-butyl-2-fluorohexa-1,3,5-trien-3-amine.
What is the SMILES notation for (3Z)-4-tert-butyl-2-fluorohexa-1,3,5-trien-3-amine?
The canonical SMILES for (3Z)-4-tert-butyl-2-fluorohexa-1,3,5-trien-3-amine is C=C/C(=C(/N)C(=C)F)C(C)(C)C.
What is the InChIKey of (3Z)-4-tert-butyl-2-fluorohexa-1,3,5-trien-3-amine?
The InChIKey is YATULWFMHZNXQQ-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H16FN/c1-6-8(10(3,4)5)9(12)7(2)11/h6H,1-2,12H2,3-5H3/b9-8-.
What are the key properties of (3Z)-4-tert-butyl-2-fluorohexa-1,3,5-trien-3-amine?
(3Z)-4-tert-butyl-2-fluorohexa-1,3,5-trien-3-amine has a molecular weight of 169.24 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-tert-butyl-2-fluorohexa-1,3,5-trien-3-amine is sourced from PubChem (CID 146377667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).