(7E,10E)-8,12,12,12-tetrafluoro-5-methyl-6,9-dimethylidenedodeca-7,10-dien-2-amine

C15H21F4N — CID 143726983

IUPAC(7E,10E)-8,12,12,12-tetrafluoro-5-methyl-6,9-dimethylidenedodeca-7,10-dien-2-amine
SMILESC=C(/C=C/C(F)(F)F)/C(F)=C\C(=C)C(C)CCC(C)N
InChIInChI=1S/C15H21F4N/c1-10(5-6-13(4)20)12(3)9-14(16)11(2)7-8-15(17,18)19/h7-10,13H,2-3,5-6,20H2,1,4H3/b8-7+,14-9+
InChIKeyVIACWKQVPZMZJA-HTEJKWGNSA-N
MW291.33 g/mol
LogP4.83
Rot. Bonds7

About (7E,10E)-8,12,12,12-tetrafluoro-5-methyl-6,9-dimethylidenedodeca-7,10-dien-2-amine

(7E,10E)-8,12,12,12-tetrafluoro-5-methyl-6,9-dimethylidenedodeca-7,10-dien-2-amine (PubChem CID 143726983) has the molecular formula C15H21F4N and a molecular weight of 291.33 g/mol. Its IUPAC name is (7E,10E)-8,12,12,12-tetrafluoro-5-methyl-6,9-dimethylidenedodeca-7,10-dien-2-amine.

Molecular Properties

Compound Name(7E,10E)-8,12,12,12-tetrafluoro-5-methyl-6,9-dimethylidenedodeca-7,10-dien-2-amine
PubChem CID143726983
Molecular FormulaC15H21F4N
Molecular Weight291.33 g/mol
Exact Mass291.16
IUPAC Name(7E,10E)-8,12,12,12-tetrafluoro-5-methyl-6,9-dimethylidenedodeca-7,10-dien-2-amine
SMILESC=C(/C=C/C(F)(F)F)/C(F)=C\C(=C)C(C)CCC(C)N
InChIInChI=1S/C15H21F4N/c1-10(5-6-13(4)20)12(3)9-14(16)11(2)7-8-15(17,18)19/h7-10,13H,2-3,5-6,20H2,1,4H3/b8-7+,14-9+
InChIKeyVIACWKQVPZMZJA-HTEJKWGNSA-N
XLogP4.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 54.83
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 (7E,10E)-8,12,12,12-tetrafluoro-5-methyl-6,9-dimethylidenedodeca-7,10-dien-2-amine?
The IUPAC name of (7E,10E)-8,12,12,12-tetrafluoro-5-methyl-6,9-dimethylidenedodeca-7,10-dien-2-amine (CID 143726983) is (7E,10E)-8,12,12,12-tetrafluoro-5-methyl-6,9-dimethylidenedodeca-7,10-dien-2-amine.
What is the SMILES notation for (7E,10E)-8,12,12,12-tetrafluoro-5-methyl-6,9-dimethylidenedodeca-7,10-dien-2-amine?
The canonical SMILES for (7E,10E)-8,12,12,12-tetrafluoro-5-methyl-6,9-dimethylidenedodeca-7,10-dien-2-amine is C=C(/C=C/C(F)(F)F)/C(F)=C\C(=C)C(C)CCC(C)N.
What is the InChIKey of (7E,10E)-8,12,12,12-tetrafluoro-5-methyl-6,9-dimethylidenedodeca-7,10-dien-2-amine?
The InChIKey is VIACWKQVPZMZJA-HTEJKWGNSA-N. The full InChI is InChI=1S/C15H21F4N/c1-10(5-6-13(4)20)12(3)9-14(16)11(2)7-8-15(17,18)19/h7-10,13H,2-3,5-6,20H2,1,4H3/b8-7+,14-9+.
What are the key properties of (7E,10E)-8,12,12,12-tetrafluoro-5-methyl-6,9-dimethylidenedodeca-7,10-dien-2-amine?
(7E,10E)-8,12,12,12-tetrafluoro-5-methyl-6,9-dimethylidenedodeca-7,10-dien-2-amine has a molecular weight of 291.33 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,10E)-8,12,12,12-tetrafluoro-5-methyl-6,9-dimethylidenedodeca-7,10-dien-2-amine is sourced from PubChem (CID 143726983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).