1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methyl]benzene

C22H25F3 — CID 139748649

IUPAC1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
SMILESCCC1CCC(c2ccc(Cc3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C22H25F3/c1-2-16-3-9-19(10-4-16)20-11-5-17(6-12-20)15-18-7-13-21(14-8-18)22(23,24)25/h5-8,11-14,16,19H,2-4,9-10,15H2,1H3
InChIKeyRIFPKHRYNRRGSO-UHFFFAOYSA-N
MW346.44 g/mol
LogP6.98
Rot. Bonds4

About 1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methyl]benzene

1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methyl]benzene (PubChem CID 139748649) has the molecular formula C22H25F3 and a molecular weight of 346.44 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methyl]benzene.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
PubChem CID139748649
Molecular FormulaC22H25F3
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Name1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
SMILESCCC1CCC(c2ccc(Cc3ccc(C(F)(F)F)cc3)cc2)CC1
InChIInChI=1S/C22H25F3/c1-2-16-3-9-19(10-4-16)20-11-5-17(6-12-20)15-18-7-13-21(14-8-18)22(23,24)25/h5-8,11-14,16,19H,2-4,9-10,15H2,1H3
InChIKeyRIFPKHRYNRRGSO-UHFFFAOYSA-N
XLogP6.98
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 ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 67779004
1-[4-[(E)-4-(4-ethylcyclohexyl)but-1-enyl]cyclohexyl]-4-(trifluoromethyl)benzene
CID 139629431
1-(2,2-difluoropropyl)-4-[4-(4-ethylcyclohexyl)phenyl]benzene
CID 23188567
1-(4-hexylcyclohexyl)-4-(trifluoromethyl)benzene
CID 57132254
1-(4-ethylcyclohexyl)-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene
CID 54218031
1-[4-(4-pentylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
CID 14985198
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
6-(4-ethylcyclohexyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139874807
1-(4-pentylcyclohexyl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 19021199
1-(4-ethylcyclohexyl)-4-[4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene
CID 20539163
4-[[4-(4-propylcyclohexyl)phenyl]methyl]aniline
CID 22420603
ethyl-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]cyclohexyl]silane
CID 123492543

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methyl]benzene?
The IUPAC name of 1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methyl]benzene (CID 139748649) is 1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methyl]benzene.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methyl]benzene?
The canonical SMILES for 1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methyl]benzene is CCC1CCC(c2ccc(Cc3ccc(C(F)(F)F)cc3)cc2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methyl]benzene?
The InChIKey is RIFPKHRYNRRGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3/c1-2-16-3-9-19(10-4-16)20-11-5-17(6-12-20)15-18-7-13-21(14-8-18)22(23,24)25/h5-8,11-14,16,19H,2-4,9-10,15H2,1H3.
What are the key properties of 1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methyl]benzene?
1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methyl]benzene has a molecular weight of 346.44 g/mol, XLogP of 6.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methyl]benzene is sourced from PubChem (CID 139748649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).