1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(trifluoromethyl)phenyl]benzene

C22H25F3 — CID 22886828

IUPAC1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(trifluoromethyl)phenyl]benzene
SMILESCC1CCC(CCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C22H25F3/c1-16-2-4-17(5-3-16)6-7-18-8-10-19(11-9-18)20-12-14-21(15-13-20)22(23,24)25/h8-17H,2-7H2,1H3
InChIKeyOCKYXMMBUGVPFA-UHFFFAOYSA-N
MW346.44 g/mol
LogP7.13
Rot. Bonds4

About 1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(trifluoromethyl)phenyl]benzene

1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(trifluoromethyl)phenyl]benzene (PubChem CID 22886828) has the molecular formula C22H25F3 and a molecular weight of 346.44 g/mol. Its IUPAC name is 1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(trifluoromethyl)phenyl]benzene
PubChem CID22886828
Molecular FormulaC22H25F3
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Name1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(trifluoromethyl)phenyl]benzene
SMILESCC1CCC(CCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C22H25F3/c1-16-2-4-17(5-3-16)6-7-18-8-10-19(11-9-18)20-12-14-21(15-13-20)22(23,24)25/h8-17H,2-7H2,1H3
InChIKeyOCKYXMMBUGVPFA-UHFFFAOYSA-N
XLogP7.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.44
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(trifluoromethyl)phenyl]benzene (CID 22886828) is 1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(trifluoromethyl)phenyl]benzene is CC1CCC(CCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)CC1.
What is the InChIKey of 1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(trifluoromethyl)phenyl]benzene?
The InChIKey is OCKYXMMBUGVPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3/c1-16-2-4-17(5-3-16)6-7-18-8-10-19(11-9-18)20-12-14-21(15-13-20)22(23,24)25/h8-17H,2-7H2,1H3.
What are the key properties of 1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(trifluoromethyl)phenyl]benzene?
1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(trifluoromethyl)phenyl]benzene has a molecular weight of 346.44 g/mol, XLogP of 7.13, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 22886828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).