1-(2-cyclohexylideneethyl)-3-methyl-5-(trifluoromethyl)benzene

C16H19F3 — CID 165143471

IUPAC1-(2-cyclohexylideneethyl)-3-methyl-5-(trifluoromethyl)benzene
SMILESCc1cc(CC=C2CCCCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H19F3/c1-12-9-14(11-15(10-12)16(17,18)19)8-7-13-5-3-2-4-6-13/h7,9-11H,2-6,8H2,1H3
InChIKeyHYBNRDKFIGDSLV-UHFFFAOYSA-N
MW268.32 g/mol
LogP5.45
Rot. Bonds2

About 1-(2-cyclohexylideneethyl)-3-methyl-5-(trifluoromethyl)benzene

1-(2-cyclohexylideneethyl)-3-methyl-5-(trifluoromethyl)benzene (PubChem CID 165143471) has the molecular formula C16H19F3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(2-cyclohexylideneethyl)-3-methyl-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2-cyclohexylideneethyl)-3-methyl-5-(trifluoromethyl)benzene
PubChem CID165143471
Molecular FormulaC16H19F3
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name1-(2-cyclohexylideneethyl)-3-methyl-5-(trifluoromethyl)benzene
SMILESCc1cc(CC=C2CCCCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H19F3/c1-12-9-14(11-15(10-12)16(17,18)19)8-7-13-5-3-2-4-6-13/h7,9-11H,2-6,8H2,1H3
InChIKeyHYBNRDKFIGDSLV-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.32
LogP ≤ 55.45
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 1-(2-cyclohexylideneethyl)-3-methyl-5-(trifluoromethyl)benzene?
The IUPAC name of 1-(2-cyclohexylideneethyl)-3-methyl-5-(trifluoromethyl)benzene (CID 165143471) is 1-(2-cyclohexylideneethyl)-3-methyl-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2-cyclohexylideneethyl)-3-methyl-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2-cyclohexylideneethyl)-3-methyl-5-(trifluoromethyl)benzene is Cc1cc(CC=C2CCCCC2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-(2-cyclohexylideneethyl)-3-methyl-5-(trifluoromethyl)benzene?
The InChIKey is HYBNRDKFIGDSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3/c1-12-9-14(11-15(10-12)16(17,18)19)8-7-13-5-3-2-4-6-13/h7,9-11H,2-6,8H2,1H3.
What are the key properties of 1-(2-cyclohexylideneethyl)-3-methyl-5-(trifluoromethyl)benzene?
1-(2-cyclohexylideneethyl)-3-methyl-5-(trifluoromethyl)benzene has a molecular weight of 268.32 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylideneethyl)-3-methyl-5-(trifluoromethyl)benzene is sourced from PubChem (CID 165143471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).