5,5-difluoro-4,7-dimethyl-6-prop-1-enyl-6,7-bis(prop-1-en-2-yl)deca-2,9-dien-4-amine

C21H33F2N — CID 123461061

IUPAC5,5-difluoro-4,7-dimethyl-6-prop-1-enyl-6,7-bis(prop-1-en-2-yl)deca-2,9-dien-4-amine
SMILESC=CCC(C)(C(=C)C)C(C=CC)(C(=C)C)C(F)(F)C(C)(N)C=CC
InChIInChI=1S/C21H33F2N/c1-10-13-18(8,16(4)5)20(15-12-3,17(6)7)21(22,23)19(9,24)14-11-2/h10-12,14-15H,1,4,6,13,24H2,2-3,5,7-9H3
InChIKeyXHKFTGWPJPGWIN-UHFFFAOYSA-N
MW337.50 g/mol
LogP6.21
Rot. Bonds9

About 5,5-difluoro-4,7-dimethyl-6-prop-1-enyl-6,7-bis(prop-1-en-2-yl)deca-2,9-dien-4-amine

5,5-difluoro-4,7-dimethyl-6-prop-1-enyl-6,7-bis(prop-1-en-2-yl)deca-2,9-dien-4-amine (PubChem CID 123461061) has the molecular formula C21H33F2N and a molecular weight of 337.50 g/mol. Its IUPAC name is 5,5-difluoro-4,7-dimethyl-6-prop-1-enyl-6,7-bis(prop-1-en-2-yl)deca-2,9-dien-4-amine.

Molecular Properties

Compound Name5,5-difluoro-4,7-dimethyl-6-prop-1-enyl-6,7-bis(prop-1-en-2-yl)deca-2,9-dien-4-amine
PubChem CID123461061
Molecular FormulaC21H33F2N
Molecular Weight337.50 g/mol
Exact Mass337.26
IUPAC Name5,5-difluoro-4,7-dimethyl-6-prop-1-enyl-6,7-bis(prop-1-en-2-yl)deca-2,9-dien-4-amine
SMILESC=CCC(C)(C(=C)C)C(C=CC)(C(=C)C)C(F)(F)C(C)(N)C=CC
InChIInChI=1S/C21H33F2N/c1-10-13-18(8,16(4)5)20(15-12-3,17(6)7)21(22,23)19(9,24)14-11-2/h10-12,14-15H,1,4,6,13,24H2,2-3,5,7-9H3
InChIKeyXHKFTGWPJPGWIN-UHFFFAOYSA-N
XLogP6.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.50
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5,5-difluoro-4,7-dimethyl-6-prop-1-enyl-6,7-bis(prop-1-en-2-yl)deca-2,9-dien-4-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 5,5-difluoro-4,7-dimethyl-6-prop-1-enyl-6,7-bis(prop-1-en-2-yl)deca-2,9-dien-4-amine?
The IUPAC name of 5,5-difluoro-4,7-dimethyl-6-prop-1-enyl-6,7-bis(prop-1-en-2-yl)deca-2,9-dien-4-amine (CID 123461061) is 5,5-difluoro-4,7-dimethyl-6-prop-1-enyl-6,7-bis(prop-1-en-2-yl)deca-2,9-dien-4-amine.
What is the SMILES notation for 5,5-difluoro-4,7-dimethyl-6-prop-1-enyl-6,7-bis(prop-1-en-2-yl)deca-2,9-dien-4-amine?
The canonical SMILES for 5,5-difluoro-4,7-dimethyl-6-prop-1-enyl-6,7-bis(prop-1-en-2-yl)deca-2,9-dien-4-amine is C=CCC(C)(C(=C)C)C(C=CC)(C(=C)C)C(F)(F)C(C)(N)C=CC.
What is the InChIKey of 5,5-difluoro-4,7-dimethyl-6-prop-1-enyl-6,7-bis(prop-1-en-2-yl)deca-2,9-dien-4-amine?
The InChIKey is XHKFTGWPJPGWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33F2N/c1-10-13-18(8,16(4)5)20(15-12-3,17(6)7)21(22,23)19(9,24)14-11-2/h10-12,14-15H,1,4,6,13,24H2,2-3,5,7-9H3.
What are the key properties of 5,5-difluoro-4,7-dimethyl-6-prop-1-enyl-6,7-bis(prop-1-en-2-yl)deca-2,9-dien-4-amine?
5,5-difluoro-4,7-dimethyl-6-prop-1-enyl-6,7-bis(prop-1-en-2-yl)deca-2,9-dien-4-amine has a molecular weight of 337.50 g/mol, XLogP of 6.21, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-4,7-dimethyl-6-prop-1-enyl-6,7-bis(prop-1-en-2-yl)deca-2,9-dien-4-amine is sourced from PubChem (CID 123461061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).