2-(3-cyclopropyl-4-ethylcyclohexen-1-yl)oxy-6-(trifluoromethyl)cyclohexa-1,3-diene

C18H23F3O — CID 123321904

IUPAC2-(3-cyclopropyl-4-ethylcyclohexen-1-yl)oxy-6-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCCC1CCC(OC2=CC(C(F)(F)F)CC=C2)=CC1C1CC1
InChIInChI=1S/C18H23F3O/c1-2-12-8-9-16(11-17(12)13-6-7-13)22-15-5-3-4-14(10-15)18(19,20)21/h3,5,10-14,17H,2,4,6-9H2,1H3
InChIKeyAJUZVBHMWNXCAE-UHFFFAOYSA-N
MW312.38 g/mol
LogP5.76
Rot. Bonds4

About 2-(3-cyclopropyl-4-ethylcyclohexen-1-yl)oxy-6-(trifluoromethyl)cyclohexa-1,3-diene

2-(3-cyclopropyl-4-ethylcyclohexen-1-yl)oxy-6-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 123321904) has the molecular formula C18H23F3O and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-(3-cyclopropyl-4-ethylcyclohexen-1-yl)oxy-6-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(3-cyclopropyl-4-ethylcyclohexen-1-yl)oxy-6-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID123321904
Molecular FormulaC18H23F3O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name2-(3-cyclopropyl-4-ethylcyclohexen-1-yl)oxy-6-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCCC1CCC(OC2=CC(C(F)(F)F)CC=C2)=CC1C1CC1
InChIInChI=1S/C18H23F3O/c1-2-12-8-9-16(11-17(12)13-6-7-13)22-15-5-3-4-14(10-15)18(19,20)21/h3,5,10-14,17H,2,4,6-9H2,1H3
InChIKeyAJUZVBHMWNXCAE-UHFFFAOYSA-N
XLogP5.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.38
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-4-ethylcyclohexen-1-yl)oxy-6-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of 2-(3-cyclopropyl-4-ethylcyclohexen-1-yl)oxy-6-(trifluoromethyl)cyclohexa-1,3-diene (CID 123321904) is 2-(3-cyclopropyl-4-ethylcyclohexen-1-yl)oxy-6-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for 2-(3-cyclopropyl-4-ethylcyclohexen-1-yl)oxy-6-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for 2-(3-cyclopropyl-4-ethylcyclohexen-1-yl)oxy-6-(trifluoromethyl)cyclohexa-1,3-diene is CCC1CCC(OC2=CC(C(F)(F)F)CC=C2)=CC1C1CC1.
What is the InChIKey of 2-(3-cyclopropyl-4-ethylcyclohexen-1-yl)oxy-6-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is AJUZVBHMWNXCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3O/c1-2-12-8-9-16(11-17(12)13-6-7-13)22-15-5-3-4-14(10-15)18(19,20)21/h3,5,10-14,17H,2,4,6-9H2,1H3.
What are the key properties of 2-(3-cyclopropyl-4-ethylcyclohexen-1-yl)oxy-6-(trifluoromethyl)cyclohexa-1,3-diene?
2-(3-cyclopropyl-4-ethylcyclohexen-1-yl)oxy-6-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 312.38 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-4-ethylcyclohexen-1-yl)oxy-6-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 123321904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).