(3E,6Z,7E)-6-ethylidene-1,1,1,8-tetrafluoro-N,N-dimethyl-2-methyliminodeca-3,7,9-trien-3-amine

C15H20F4N2 — CID 155112575

IUPAC(3E,6Z,7E)-6-ethylidene-1,1,1,8-tetrafluoro-N,N-dimethyl-2-methyliminodeca-3,7,9-trien-3-amine
SMILESC=C/C(F)=C\C(=C/C)C/C=C(C(=N\C)\C(F)(F)F)/N(C)C
InChIInChI=1S/C15H20F4N2/c1-6-11(10-12(16)7-2)8-9-13(21(4)5)14(20-3)15(17,18)19/h6-7,9-10H,2,8H2,1,3-5H3/b11-6-,12-10+,13-9+,20-14-
InChIKeyPYBGTZVYQWHUTF-VBALXOJQSA-N
MW304.33 g/mol
LogP4.44
Rot. Bonds6

About (3E,6Z,7E)-6-ethylidene-1,1,1,8-tetrafluoro-N,N-dimethyl-2-methyliminodeca-3,7,9-trien-3-amine

(3E,6Z,7E)-6-ethylidene-1,1,1,8-tetrafluoro-N,N-dimethyl-2-methyliminodeca-3,7,9-trien-3-amine (PubChem CID 155112575) has the molecular formula C15H20F4N2 and a molecular weight of 304.33 g/mol. Its IUPAC name is (3E,6Z,7E)-6-ethylidene-1,1,1,8-tetrafluoro-N,N-dimethyl-2-methyliminodeca-3,7,9-trien-3-amine.

Molecular Properties

Compound Name(3E,6Z,7E)-6-ethylidene-1,1,1,8-tetrafluoro-N,N-dimethyl-2-methyliminodeca-3,7,9-trien-3-amine
PubChem CID155112575
Molecular FormulaC15H20F4N2
Molecular Weight304.33 g/mol
Exact Mass304.16
IUPAC Name(3E,6Z,7E)-6-ethylidene-1,1,1,8-tetrafluoro-N,N-dimethyl-2-methyliminodeca-3,7,9-trien-3-amine
SMILESC=C/C(F)=C\C(=C/C)C/C=C(C(=N\C)\C(F)(F)F)/N(C)C
InChIInChI=1S/C15H20F4N2/c1-6-11(10-12(16)7-2)8-9-13(21(4)5)14(20-3)15(17,18)19/h6-7,9-10H,2,8H2,1,3-5H3/b11-6-,12-10+,13-9+,20-14-
InChIKeyPYBGTZVYQWHUTF-VBALXOJQSA-N
XLogP4.44
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z,4Z)-N-methyl-N-(3-methylbuta-1,3-dien-2-yl)-4-[N-methyl-C-(trifluoromethyl)carbonimidoyl]hexa-2,4-dien-3-amine
CID 155690620
3,3-difluoro-N-methyl-N-[(1E)-1-(6-methyliminocyclohexa-2,4-dien-1-ylidene)ethyl]butan-1-amine
CID 178089542

Frequently Asked Questions

What is the IUPAC name of (3E,6Z,7E)-6-ethylidene-1,1,1,8-tetrafluoro-N,N-dimethyl-2-methyliminodeca-3,7,9-trien-3-amine?
The IUPAC name of (3E,6Z,7E)-6-ethylidene-1,1,1,8-tetrafluoro-N,N-dimethyl-2-methyliminodeca-3,7,9-trien-3-amine (CID 155112575) is (3E,6Z,7E)-6-ethylidene-1,1,1,8-tetrafluoro-N,N-dimethyl-2-methyliminodeca-3,7,9-trien-3-amine.
What is the SMILES notation for (3E,6Z,7E)-6-ethylidene-1,1,1,8-tetrafluoro-N,N-dimethyl-2-methyliminodeca-3,7,9-trien-3-amine?
The canonical SMILES for (3E,6Z,7E)-6-ethylidene-1,1,1,8-tetrafluoro-N,N-dimethyl-2-methyliminodeca-3,7,9-trien-3-amine is C=C/C(F)=C\C(=C/C)C/C=C(C(=N\C)\C(F)(F)F)/N(C)C.
What is the InChIKey of (3E,6Z,7E)-6-ethylidene-1,1,1,8-tetrafluoro-N,N-dimethyl-2-methyliminodeca-3,7,9-trien-3-amine?
The InChIKey is PYBGTZVYQWHUTF-VBALXOJQSA-N. The full InChI is InChI=1S/C15H20F4N2/c1-6-11(10-12(16)7-2)8-9-13(21(4)5)14(20-3)15(17,18)19/h6-7,9-10H,2,8H2,1,3-5H3/b11-6-,12-10+,13-9+,20-14-.
What are the key properties of (3E,6Z,7E)-6-ethylidene-1,1,1,8-tetrafluoro-N,N-dimethyl-2-methyliminodeca-3,7,9-trien-3-amine?
(3E,6Z,7E)-6-ethylidene-1,1,1,8-tetrafluoro-N,N-dimethyl-2-methyliminodeca-3,7,9-trien-3-amine has a molecular weight of 304.33 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6Z,7E)-6-ethylidene-1,1,1,8-tetrafluoro-N,N-dimethyl-2-methyliminodeca-3,7,9-trien-3-amine is sourced from PubChem (CID 155112575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).