(1Z,5Z)-5-(difluoromethyl)-1-fluoro-2-iodohepta-1,5-diene

C8H10F3I — CID 162607400

IUPAC(1Z,5Z)-5-(difluoromethyl)-1-fluoro-2-iodohepta-1,5-diene
SMILESC/C=C(/CC/C(I)=C/F)C(F)F
InChIInChI=1S/C8H10F3I/c1-2-6(8(10)11)3-4-7(12)5-9/h2,5,8H,3-4H2,1H3/b6-2-,7-5-
InChIKeyMJGLKZCQJGRKPY-QOXGDRCISA-N
MW290.07 g/mol
LogP4.22
Rot. Bonds4

About (1Z,5Z)-5-(difluoromethyl)-1-fluoro-2-iodohepta-1,5-diene

(1Z,5Z)-5-(difluoromethyl)-1-fluoro-2-iodohepta-1,5-diene (PubChem CID 162607400) has the molecular formula C8H10F3I and a molecular weight of 290.07 g/mol. Its IUPAC name is (1Z,5Z)-5-(difluoromethyl)-1-fluoro-2-iodohepta-1,5-diene.

Molecular Properties

Compound Name(1Z,5Z)-5-(difluoromethyl)-1-fluoro-2-iodohepta-1,5-diene
PubChem CID162607400
Molecular FormulaC8H10F3I
Molecular Weight290.07 g/mol
Exact Mass289.98
IUPAC Name(1Z,5Z)-5-(difluoromethyl)-1-fluoro-2-iodohepta-1,5-diene
SMILESC/C=C(/CC/C(I)=C/F)C(F)F
InChIInChI=1S/C8H10F3I/c1-2-6(8(10)11)3-4-7(12)5-9/h2,5,8H,3-4H2,1H3/b6-2-,7-5-
InChIKeyMJGLKZCQJGRKPY-QOXGDRCISA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.07
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,5Z)-5-(difluoromethyl)-1-fluoro-2-iodohepta-1,5-diene?
The IUPAC name of (1Z,5Z)-5-(difluoromethyl)-1-fluoro-2-iodohepta-1,5-diene (CID 162607400) is (1Z,5Z)-5-(difluoromethyl)-1-fluoro-2-iodohepta-1,5-diene.
What is the SMILES notation for (1Z,5Z)-5-(difluoromethyl)-1-fluoro-2-iodohepta-1,5-diene?
The canonical SMILES for (1Z,5Z)-5-(difluoromethyl)-1-fluoro-2-iodohepta-1,5-diene is C/C=C(/CC/C(I)=C/F)C(F)F.
What is the InChIKey of (1Z,5Z)-5-(difluoromethyl)-1-fluoro-2-iodohepta-1,5-diene?
The InChIKey is MJGLKZCQJGRKPY-QOXGDRCISA-N. The full InChI is InChI=1S/C8H10F3I/c1-2-6(8(10)11)3-4-7(12)5-9/h2,5,8H,3-4H2,1H3/b6-2-,7-5-.
What are the key properties of (1Z,5Z)-5-(difluoromethyl)-1-fluoro-2-iodohepta-1,5-diene?
(1Z,5Z)-5-(difluoromethyl)-1-fluoro-2-iodohepta-1,5-diene has a molecular weight of 290.07 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,5Z)-5-(difluoromethyl)-1-fluoro-2-iodohepta-1,5-diene is sourced from PubChem (CID 162607400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).