(2Z)-2-chloro-1,1,1-trifluoro-6-methylhepta-2,5-diene

C8H10ClF3 — CID 6442893

IUPAC(2Z)-2-chloro-1,1,1-trifluoro-6-methylhepta-2,5-diene
SMILESCC(C)=CC/C=C(\Cl)C(F)(F)F
InChIInChI=1S/C8H10ClF3/c1-6(2)4-3-5-7(9)8(10,11)12/h4-5H,3H2,1-2H3/b7-5-
InChIKeyPCKFNFDGDUEJNZ-ALCCZGGFSA-N
MW198.62 g/mol
LogP4.03
Rot. Bonds2

About (2Z)-2-chloro-1,1,1-trifluoro-6-methylhepta-2,5-diene

(2Z)-2-chloro-1,1,1-trifluoro-6-methylhepta-2,5-diene (PubChem CID 6442893) has the molecular formula C8H10ClF3 and a molecular weight of 198.62 g/mol. Its IUPAC name is (2Z)-2-chloro-1,1,1-trifluoro-6-methylhepta-2,5-diene.

Molecular Properties

Compound Name(2Z)-2-chloro-1,1,1-trifluoro-6-methylhepta-2,5-diene
PubChem CID6442893
Molecular FormulaC8H10ClF3
Molecular Weight198.62 g/mol
Exact Mass198.04
IUPAC Name(2Z)-2-chloro-1,1,1-trifluoro-6-methylhepta-2,5-diene
SMILESCC(C)=CC/C=C(\Cl)C(F)(F)F
InChIInChI=1S/C8H10ClF3/c1-6(2)4-3-5-7(9)8(10,11)12/h4-5H,3H2,1-2H3/b7-5-
InChIKeyPCKFNFDGDUEJNZ-ALCCZGGFSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.62
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-chloro-1,1,1-trifluoro-6-methylhepta-2,5-diene?
The IUPAC name of (2Z)-2-chloro-1,1,1-trifluoro-6-methylhepta-2,5-diene (CID 6442893) is (2Z)-2-chloro-1,1,1-trifluoro-6-methylhepta-2,5-diene.
What is the SMILES notation for (2Z)-2-chloro-1,1,1-trifluoro-6-methylhepta-2,5-diene?
The canonical SMILES for (2Z)-2-chloro-1,1,1-trifluoro-6-methylhepta-2,5-diene is CC(C)=CC/C=C(\Cl)C(F)(F)F.
What is the InChIKey of (2Z)-2-chloro-1,1,1-trifluoro-6-methylhepta-2,5-diene?
The InChIKey is PCKFNFDGDUEJNZ-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H10ClF3/c1-6(2)4-3-5-7(9)8(10,11)12/h4-5H,3H2,1-2H3/b7-5-.
What are the key properties of (2Z)-2-chloro-1,1,1-trifluoro-6-methylhepta-2,5-diene?
(2Z)-2-chloro-1,1,1-trifluoro-6-methylhepta-2,5-diene has a molecular weight of 198.62 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-chloro-1,1,1-trifluoro-6-methylhepta-2,5-diene is sourced from PubChem (CID 6442893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).