(3E)-2-chloro-1-ethenyl-3-ethylidene-5-(trifluoromethyl)cyclohexene

C11H12ClF3 — CID 168799454

IUPAC(3E)-2-chloro-1-ethenyl-3-ethylidene-5-(trifluoromethyl)cyclohexene
SMILESC=CC1=C(Cl)/C(=C/C)CC(C(F)(F)F)C1
InChIInChI=1S/C11H12ClF3/c1-3-7-5-9(11(13,14)15)6-8(4-2)10(7)12/h3-4,9H,1,5-6H2,2H3/b8-4+
InChIKeySCESYNMVHMBWHX-XBXARRHUSA-N
MW236.66 g/mol
LogP4.58
Rot. Bonds1

About (3E)-2-chloro-1-ethenyl-3-ethylidene-5-(trifluoromethyl)cyclohexene

(3E)-2-chloro-1-ethenyl-3-ethylidene-5-(trifluoromethyl)cyclohexene (PubChem CID 168799454) has the molecular formula C11H12ClF3 and a molecular weight of 236.66 g/mol. Its IUPAC name is (3E)-2-chloro-1-ethenyl-3-ethylidene-5-(trifluoromethyl)cyclohexene.

Molecular Properties

Compound Name(3E)-2-chloro-1-ethenyl-3-ethylidene-5-(trifluoromethyl)cyclohexene
PubChem CID168799454
Molecular FormulaC11H12ClF3
Molecular Weight236.66 g/mol
Exact Mass236.06
IUPAC Name(3E)-2-chloro-1-ethenyl-3-ethylidene-5-(trifluoromethyl)cyclohexene
SMILESC=CC1=C(Cl)/C(=C/C)CC(C(F)(F)F)C1
InChIInChI=1S/C11H12ClF3/c1-3-7-5-9(11(13,14)15)6-8(4-2)10(7)12/h3-4,9H,1,5-6H2,2H3/b8-4+
InChIKeySCESYNMVHMBWHX-XBXARRHUSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3E)-2-chloro-1-ethenyl-3-ethylidene-5-(trifluoromethyl)cyclohexene?
The IUPAC name of (3E)-2-chloro-1-ethenyl-3-ethylidene-5-(trifluoromethyl)cyclohexene (CID 168799454) is (3E)-2-chloro-1-ethenyl-3-ethylidene-5-(trifluoromethyl)cyclohexene.
What is the SMILES notation for (3E)-2-chloro-1-ethenyl-3-ethylidene-5-(trifluoromethyl)cyclohexene?
The canonical SMILES for (3E)-2-chloro-1-ethenyl-3-ethylidene-5-(trifluoromethyl)cyclohexene is C=CC1=C(Cl)/C(=C/C)CC(C(F)(F)F)C1.
What is the InChIKey of (3E)-2-chloro-1-ethenyl-3-ethylidene-5-(trifluoromethyl)cyclohexene?
The InChIKey is SCESYNMVHMBWHX-XBXARRHUSA-N. The full InChI is InChI=1S/C11H12ClF3/c1-3-7-5-9(11(13,14)15)6-8(4-2)10(7)12/h3-4,9H,1,5-6H2,2H3/b8-4+.
What are the key properties of (3E)-2-chloro-1-ethenyl-3-ethylidene-5-(trifluoromethyl)cyclohexene?
(3E)-2-chloro-1-ethenyl-3-ethylidene-5-(trifluoromethyl)cyclohexene has a molecular weight of 236.66 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-chloro-1-ethenyl-3-ethylidene-5-(trifluoromethyl)cyclohexene is sourced from PubChem (CID 168799454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).