(E,2E)-2-but-3-en-2-ylidene-N-(1,1-difluoropropan-2-yl)-4,5-dimethylhex-3-en-1-imine

C15H23F2N — CID 147638219

IUPAC(E,2E)-2-but-3-en-2-ylidene-N-(1,1-difluoropropan-2-yl)-4,5-dimethylhex-3-en-1-imine
SMILESC=C/C(C)=C(/C=N/C(C)C(F)F)\C=C(/C)C(C)C
InChIInChI=1S/C15H23F2N/c1-7-11(4)14(8-12(5)10(2)3)9-18-13(6)15(16)17/h7-10,13,15H,1H2,2-6H3/b12-8+,14-11+,18-9+
InChIKeyGHBZVVLSKLGFDP-YOJJZURDSA-N
MW255.35 g/mol
LogP4.82
Rot. Bonds6

About (E,2E)-2-but-3-en-2-ylidene-N-(1,1-difluoropropan-2-yl)-4,5-dimethylhex-3-en-1-imine

(E,2E)-2-but-3-en-2-ylidene-N-(1,1-difluoropropan-2-yl)-4,5-dimethylhex-3-en-1-imine (PubChem CID 147638219) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is (E,2E)-2-but-3-en-2-ylidene-N-(1,1-difluoropropan-2-yl)-4,5-dimethylhex-3-en-1-imine.

Molecular Properties

Compound Name(E,2E)-2-but-3-en-2-ylidene-N-(1,1-difluoropropan-2-yl)-4,5-dimethylhex-3-en-1-imine
PubChem CID147638219
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Name(E,2E)-2-but-3-en-2-ylidene-N-(1,1-difluoropropan-2-yl)-4,5-dimethylhex-3-en-1-imine
SMILESC=C/C(C)=C(/C=N/C(C)C(F)F)\C=C(/C)C(C)C
InChIInChI=1S/C15H23F2N/c1-7-11(4)14(8-12(5)10(2)3)9-18-13(6)15(16)17/h7-10,13,15H,1H2,2-6H3/b12-8+,14-11+,18-9+
InChIKeyGHBZVVLSKLGFDP-YOJJZURDSA-N
XLogP4.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2E)-2-but-3-en-2-ylidene-N-(1,1-difluoropropan-2-yl)-4,5-dimethylhex-3-en-1-imine?
The IUPAC name of (E,2E)-2-but-3-en-2-ylidene-N-(1,1-difluoropropan-2-yl)-4,5-dimethylhex-3-en-1-imine (CID 147638219) is (E,2E)-2-but-3-en-2-ylidene-N-(1,1-difluoropropan-2-yl)-4,5-dimethylhex-3-en-1-imine.
What is the SMILES notation for (E,2E)-2-but-3-en-2-ylidene-N-(1,1-difluoropropan-2-yl)-4,5-dimethylhex-3-en-1-imine?
The canonical SMILES for (E,2E)-2-but-3-en-2-ylidene-N-(1,1-difluoropropan-2-yl)-4,5-dimethylhex-3-en-1-imine is C=C/C(C)=C(/C=N/C(C)C(F)F)\C=C(/C)C(C)C.
What is the InChIKey of (E,2E)-2-but-3-en-2-ylidene-N-(1,1-difluoropropan-2-yl)-4,5-dimethylhex-3-en-1-imine?
The InChIKey is GHBZVVLSKLGFDP-YOJJZURDSA-N. The full InChI is InChI=1S/C15H23F2N/c1-7-11(4)14(8-12(5)10(2)3)9-18-13(6)15(16)17/h7-10,13,15H,1H2,2-6H3/b12-8+,14-11+,18-9+.
What are the key properties of (E,2E)-2-but-3-en-2-ylidene-N-(1,1-difluoropropan-2-yl)-4,5-dimethylhex-3-en-1-imine?
(E,2E)-2-but-3-en-2-ylidene-N-(1,1-difluoropropan-2-yl)-4,5-dimethylhex-3-en-1-imine has a molecular weight of 255.35 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2E)-2-but-3-en-2-ylidene-N-(1,1-difluoropropan-2-yl)-4,5-dimethylhex-3-en-1-imine is sourced from PubChem (CID 147638219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).