(Z)-6-chloro-1,1,1-trifluoro-2-methylhex-3-ene

C7H10ClF3 — CID 118348717

IUPAC(Z)-6-chloro-1,1,1-trifluoro-2-methylhex-3-ene
SMILESCC(/C=C\CCCl)C(F)(F)F
InChIInChI=1S/C7H10ClF3/c1-6(7(9,10)11)4-2-3-5-8/h2,4,6H,3,5H2,1H3/b4-2-
InChIKeyUYVVDCBZTNCICG-RQOWECAXSA-N
MW186.60 g/mol
LogP3.37
Rot. Bonds3

About (Z)-6-chloro-1,1,1-trifluoro-2-methylhex-3-ene

(Z)-6-chloro-1,1,1-trifluoro-2-methylhex-3-ene (PubChem CID 118348717) has the molecular formula C7H10ClF3 and a molecular weight of 186.60 g/mol. Its IUPAC name is (Z)-6-chloro-1,1,1-trifluoro-2-methylhex-3-ene.

Molecular Properties

Compound Name(Z)-6-chloro-1,1,1-trifluoro-2-methylhex-3-ene
PubChem CID118348717
Molecular FormulaC7H10ClF3
Molecular Weight186.60 g/mol
Exact Mass186.04
IUPAC Name(Z)-6-chloro-1,1,1-trifluoro-2-methylhex-3-ene
SMILESCC(/C=C\CCCl)C(F)(F)F
InChIInChI=1S/C7H10ClF3/c1-6(7(9,10)11)4-2-3-5-8/h2,4,6H,3,5H2,1H3/b4-2-
InChIKeyUYVVDCBZTNCICG-RQOWECAXSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-6-chloro-1,1,1-trifluoro-2-methylhex-3-ene?
The IUPAC name of (Z)-6-chloro-1,1,1-trifluoro-2-methylhex-3-ene (CID 118348717) is (Z)-6-chloro-1,1,1-trifluoro-2-methylhex-3-ene.
What is the SMILES notation for (Z)-6-chloro-1,1,1-trifluoro-2-methylhex-3-ene?
The canonical SMILES for (Z)-6-chloro-1,1,1-trifluoro-2-methylhex-3-ene is CC(/C=C\CCCl)C(F)(F)F.
What is the InChIKey of (Z)-6-chloro-1,1,1-trifluoro-2-methylhex-3-ene?
The InChIKey is UYVVDCBZTNCICG-RQOWECAXSA-N. The full InChI is InChI=1S/C7H10ClF3/c1-6(7(9,10)11)4-2-3-5-8/h2,4,6H,3,5H2,1H3/b4-2-.
What are the key properties of (Z)-6-chloro-1,1,1-trifluoro-2-methylhex-3-ene?
(Z)-6-chloro-1,1,1-trifluoro-2-methylhex-3-ene has a molecular weight of 186.60 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-chloro-1,1,1-trifluoro-2-methylhex-3-ene is sourced from PubChem (CID 118348717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).