(2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine

C11H15F2N — CID 89289612

IUPAC(2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine
SMILESC=CCN/C(C)=C(F)/C=C(/F)C(=C)C
InChIInChI=1S/C11H15F2N/c1-5-6-14-9(4)11(13)7-10(12)8(2)3/h5,7,14H,1-2,6H2,3-4H3/b10-7+,11-9-
InChIKeyCXRPROVQLKGICR-BDFJVSTISA-N
MW199.24 g/mol
LogP3.39
Rot. Bonds5

About (2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine

(2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine (PubChem CID 89289612) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is (2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine
PubChem CID89289612
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name(2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine
SMILESC=CCN/C(C)=C(F)/C=C(/F)C(=C)C
InChIInChI=1S/C11H15F2N/c1-5-6-14-9(4)11(13)7-10(12)8(2)3/h5,7,14H,1-2,6H2,3-4H3/b10-7+,11-9-
InChIKeyCXRPROVQLKGICR-BDFJVSTISA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine?
The IUPAC name of (2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine (CID 89289612) is (2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine.
What is the SMILES notation for (2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine?
The canonical SMILES for (2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine is C=CCN/C(C)=C(F)/C=C(/F)C(=C)C.
What is the InChIKey of (2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine?
The InChIKey is CXRPROVQLKGICR-BDFJVSTISA-N. The full InChI is InChI=1S/C11H15F2N/c1-5-6-14-9(4)11(13)7-10(12)8(2)3/h5,7,14H,1-2,6H2,3-4H3/b10-7+,11-9-.
What are the key properties of (2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine?
(2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine has a molecular weight of 199.24 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine is sourced from PubChem (CID 89289612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).