(1Z)-1-[(E)-3-ethyl-6,6,6-trifluoro-4-methylhex-3-en-2-ylidene]-2-methylcyclopentane

C15H23F3 — CID 146618953

IUPAC(1Z)-1-[(E)-3-ethyl-6,6,6-trifluoro-4-methylhex-3-en-2-ylidene]-2-methylcyclopentane
SMILESCCC(/C(C)=C1/CCCC1C)=C(/C)CC(F)(F)F
InChIInChI=1S/C15H23F3/c1-5-13(11(3)9-15(16,17)18)12(4)14-8-6-7-10(14)2/h10H,5-9H2,1-4H3/b13-11+,14-12-
InChIKeyNJEGJIBZQMFMAZ-KPGXXQICSA-N
MW260.34 g/mol
LogP5.80
Rot. Bonds3

About (1Z)-1-[(E)-3-ethyl-6,6,6-trifluoro-4-methylhex-3-en-2-ylidene]-2-methylcyclopentane

(1Z)-1-[(E)-3-ethyl-6,6,6-trifluoro-4-methylhex-3-en-2-ylidene]-2-methylcyclopentane (PubChem CID 146618953) has the molecular formula C15H23F3 and a molecular weight of 260.34 g/mol. Its IUPAC name is (1Z)-1-[(E)-3-ethyl-6,6,6-trifluoro-4-methylhex-3-en-2-ylidene]-2-methylcyclopentane.

Molecular Properties

Compound Name(1Z)-1-[(E)-3-ethyl-6,6,6-trifluoro-4-methylhex-3-en-2-ylidene]-2-methylcyclopentane
PubChem CID146618953
Molecular FormulaC15H23F3
Molecular Weight260.34 g/mol
Exact Mass260.18
IUPAC Name(1Z)-1-[(E)-3-ethyl-6,6,6-trifluoro-4-methylhex-3-en-2-ylidene]-2-methylcyclopentane
SMILESCCC(/C(C)=C1/CCCC1C)=C(/C)CC(F)(F)F
InChIInChI=1S/C15H23F3/c1-5-13(11(3)9-15(16,17)18)12(4)14-8-6-7-10(14)2/h10H,5-9H2,1-4H3/b13-11+,14-12-
InChIKeyNJEGJIBZQMFMAZ-KPGXXQICSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.34
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(E)-3-ethyl-6,6,6-trifluoro-4-methylhex-3-en-2-ylidene]-2-methylcyclopentane?
The IUPAC name of (1Z)-1-[(E)-3-ethyl-6,6,6-trifluoro-4-methylhex-3-en-2-ylidene]-2-methylcyclopentane (CID 146618953) is (1Z)-1-[(E)-3-ethyl-6,6,6-trifluoro-4-methylhex-3-en-2-ylidene]-2-methylcyclopentane.
What is the SMILES notation for (1Z)-1-[(E)-3-ethyl-6,6,6-trifluoro-4-methylhex-3-en-2-ylidene]-2-methylcyclopentane?
The canonical SMILES for (1Z)-1-[(E)-3-ethyl-6,6,6-trifluoro-4-methylhex-3-en-2-ylidene]-2-methylcyclopentane is CCC(/C(C)=C1/CCCC1C)=C(/C)CC(F)(F)F.
What is the InChIKey of (1Z)-1-[(E)-3-ethyl-6,6,6-trifluoro-4-methylhex-3-en-2-ylidene]-2-methylcyclopentane?
The InChIKey is NJEGJIBZQMFMAZ-KPGXXQICSA-N. The full InChI is InChI=1S/C15H23F3/c1-5-13(11(3)9-15(16,17)18)12(4)14-8-6-7-10(14)2/h10H,5-9H2,1-4H3/b13-11+,14-12-.
What are the key properties of (1Z)-1-[(E)-3-ethyl-6,6,6-trifluoro-4-methylhex-3-en-2-ylidene]-2-methylcyclopentane?
(1Z)-1-[(E)-3-ethyl-6,6,6-trifluoro-4-methylhex-3-en-2-ylidene]-2-methylcyclopentane has a molecular weight of 260.34 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(E)-3-ethyl-6,6,6-trifluoro-4-methylhex-3-en-2-ylidene]-2-methylcyclopentane is sourced from PubChem (CID 146618953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).