(2Z)-2-(difluoromethyl)-1,1,1-trifluoro-5-methylhexa-2,4-diene

C8H9F5 — CID 22157762

IUPAC(2Z)-2-(difluoromethyl)-1,1,1-trifluoro-5-methylhexa-2,4-diene
SMILESCC(C)=C/C=C(/C(F)F)C(F)(F)F
InChIInChI=1S/C8H9F5/c1-5(2)3-4-6(7(9)10)8(11,12)13/h3-4,7H,1-2H3/b6-4-
InChIKeyGFMNEHCEZSAWPO-XQRVVYSFSA-N
MW200.15 g/mol
LogP3.71
Rot. Bonds2

About (2Z)-2-(difluoromethyl)-1,1,1-trifluoro-5-methylhexa-2,4-diene

(2Z)-2-(difluoromethyl)-1,1,1-trifluoro-5-methylhexa-2,4-diene (PubChem CID 22157762) has the molecular formula C8H9F5 and a molecular weight of 200.15 g/mol. Its IUPAC name is (2Z)-2-(difluoromethyl)-1,1,1-trifluoro-5-methylhexa-2,4-diene.

Molecular Properties

Compound Name(2Z)-2-(difluoromethyl)-1,1,1-trifluoro-5-methylhexa-2,4-diene
PubChem CID22157762
Molecular FormulaC8H9F5
Molecular Weight200.15 g/mol
Exact Mass200.06
IUPAC Name(2Z)-2-(difluoromethyl)-1,1,1-trifluoro-5-methylhexa-2,4-diene
SMILESCC(C)=C/C=C(/C(F)F)C(F)(F)F
InChIInChI=1S/C8H9F5/c1-5(2)3-4-6(7(9)10)8(11,12)13/h3-4,7H,1-2H3/b6-4-
InChIKeyGFMNEHCEZSAWPO-XQRVVYSFSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(difluoromethyl)-1,1,1-trifluoro-5-methylhexa-2,4-diene?
The IUPAC name of (2Z)-2-(difluoromethyl)-1,1,1-trifluoro-5-methylhexa-2,4-diene (CID 22157762) is (2Z)-2-(difluoromethyl)-1,1,1-trifluoro-5-methylhexa-2,4-diene.
What is the SMILES notation for (2Z)-2-(difluoromethyl)-1,1,1-trifluoro-5-methylhexa-2,4-diene?
The canonical SMILES for (2Z)-2-(difluoromethyl)-1,1,1-trifluoro-5-methylhexa-2,4-diene is CC(C)=C/C=C(/C(F)F)C(F)(F)F.
What is the InChIKey of (2Z)-2-(difluoromethyl)-1,1,1-trifluoro-5-methylhexa-2,4-diene?
The InChIKey is GFMNEHCEZSAWPO-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H9F5/c1-5(2)3-4-6(7(9)10)8(11,12)13/h3-4,7H,1-2H3/b6-4-.
What are the key properties of (2Z)-2-(difluoromethyl)-1,1,1-trifluoro-5-methylhexa-2,4-diene?
(2Z)-2-(difluoromethyl)-1,1,1-trifluoro-5-methylhexa-2,4-diene has a molecular weight of 200.15 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(difluoromethyl)-1,1,1-trifluoro-5-methylhexa-2,4-diene is sourced from PubChem (CID 22157762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).