(2Z)-2-but-3-en-2-ylidene-4,4-difluorohexan-1-imine

C10H15F2N — CID 138703082

IUPAC(2Z)-2-but-3-en-2-ylidene-4,4-difluorohexan-1-imine
SMILES[H]/N=C/C(CC(F)(F)CC)=C(/C)C=C
InChIInChI=1S/C10H15F2N/c1-4-8(3)9(7-13)6-10(11,12)5-2/h4,7,13H,1,5-6H2,2-3H3/b9-8-,13-7+
InChIKeyHJCJYNUMVGUMHX-URSXUPEYSA-N
MW187.23 g/mol
LogP3.57
Rot. Bonds5

About (2Z)-2-but-3-en-2-ylidene-4,4-difluorohexan-1-imine

(2Z)-2-but-3-en-2-ylidene-4,4-difluorohexan-1-imine (PubChem CID 138703082) has the molecular formula C10H15F2N and a molecular weight of 187.23 g/mol. Its IUPAC name is (2Z)-2-but-3-en-2-ylidene-4,4-difluorohexan-1-imine.

Molecular Properties

Compound Name(2Z)-2-but-3-en-2-ylidene-4,4-difluorohexan-1-imine
PubChem CID138703082
Molecular FormulaC10H15F2N
Molecular Weight187.23 g/mol
Exact Mass187.12
IUPAC Name(2Z)-2-but-3-en-2-ylidene-4,4-difluorohexan-1-imine
SMILES[H]/N=C/C(CC(F)(F)CC)=C(/C)C=C
InChIInChI=1S/C10H15F2N/c1-4-8(3)9(7-13)6-10(11,12)5-2/h4,7,13H,1,5-6H2,2-3H3/b9-8-,13-7+
InChIKeyHJCJYNUMVGUMHX-URSXUPEYSA-N
XLogP3.57
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 53.57
H-Bond Donors ≤ 51
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 (2Z)-2-but-3-en-2-ylidene-4,4-difluorohexan-1-imine?
The IUPAC name of (2Z)-2-but-3-en-2-ylidene-4,4-difluorohexan-1-imine (CID 138703082) is (2Z)-2-but-3-en-2-ylidene-4,4-difluorohexan-1-imine.
What is the SMILES notation for (2Z)-2-but-3-en-2-ylidene-4,4-difluorohexan-1-imine?
The canonical SMILES for (2Z)-2-but-3-en-2-ylidene-4,4-difluorohexan-1-imine is [H]/N=C/C(CC(F)(F)CC)=C(/C)C=C.
What is the InChIKey of (2Z)-2-but-3-en-2-ylidene-4,4-difluorohexan-1-imine?
The InChIKey is HJCJYNUMVGUMHX-URSXUPEYSA-N. The full InChI is InChI=1S/C10H15F2N/c1-4-8(3)9(7-13)6-10(11,12)5-2/h4,7,13H,1,5-6H2,2-3H3/b9-8-,13-7+.
What are the key properties of (2Z)-2-but-3-en-2-ylidene-4,4-difluorohexan-1-imine?
(2Z)-2-but-3-en-2-ylidene-4,4-difluorohexan-1-imine has a molecular weight of 187.23 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-but-3-en-2-ylidene-4,4-difluorohexan-1-imine is sourced from PubChem (CID 138703082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).