1-(4-ethylcyclohexyl)-4-[4-(1,2,2-trifluoropropyl)phenyl]benzene

C23H27F3 — CID 54084592

IUPAC1-(4-ethylcyclohexyl)-4-[4-(1,2,2-trifluoropropyl)phenyl]benzene
SMILESCCC1CCC(c2ccc(-c3ccc(C(F)C(C)(F)F)cc3)cc2)CC1
InChIInChI=1S/C23H27F3/c1-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(15-13-20)22(24)23(2,25)26/h8-17,22H,3-7H2,1-2H3
InChIKeyMPNMEHHIEHHMHI-UHFFFAOYSA-N
MW360.46 g/mol
LogP7.70
Rot. Bonds5

About 1-(4-ethylcyclohexyl)-4-[4-(1,2,2-trifluoropropyl)phenyl]benzene

1-(4-ethylcyclohexyl)-4-[4-(1,2,2-trifluoropropyl)phenyl]benzene (PubChem CID 54084592) has the molecular formula C23H27F3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-4-[4-(1,2,2-trifluoropropyl)phenyl]benzene.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-4-[4-(1,2,2-trifluoropropyl)phenyl]benzene
PubChem CID54084592
Molecular FormulaC23H27F3
Molecular Weight360.46 g/mol
Exact Mass360.21
IUPAC Name1-(4-ethylcyclohexyl)-4-[4-(1,2,2-trifluoropropyl)phenyl]benzene
SMILESCCC1CCC(c2ccc(-c3ccc(C(F)C(C)(F)F)cc3)cc2)CC1
InChIInChI=1S/C23H27F3/c1-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(15-13-20)22(24)23(2,25)26/h8-17,22H,3-7H2,1-2H3
InChIKeyMPNMEHHIEHHMHI-UHFFFAOYSA-N
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2,2-difluoropropyl)-4-[4-(4-ethylcyclohexyl)phenyl]benzene
CID 23188567
1-(4-octylcyclohexyl)-4-[4-(1,2,2-trifluoropentyl)phenyl]benzene
CID 67766470
1-bromo-4-[4-(4-ethylcyclohexyl)phenyl]benzene
CID 170842748
1-(4-ethylcyclohexyl)-4-[4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene
CID 20539163
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
5-[[4-[4-(4-ethylcyclohexyl)phenyl]phenyl]-difluoromethoxy]-1,2,3-trifluorobenzene
CID 118136060
1-ethenyl-4-[4-(4-ethylcyclohexyl)phenyl]benzene;propane
CID 145009719
4-(difluoromethyl)-2-[4-(4-ethylcyclohexyl)phenyl]benzenecarbothioic S-acid
CID 88595770
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
1-(4-ethylcyclohexyl)-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 139748649
1-(4-ethylcyclohexyl)-4-(2-fluorophenyl)benzene
CID 139911152
1-(4-octylcyclohexyl)-4-[4-(1,1,2,2-tetrafluoroethyl)phenyl]benzene
CID 23188504

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-4-[4-(1,2,2-trifluoropropyl)phenyl]benzene?
The IUPAC name of 1-(4-ethylcyclohexyl)-4-[4-(1,2,2-trifluoropropyl)phenyl]benzene (CID 54084592) is 1-(4-ethylcyclohexyl)-4-[4-(1,2,2-trifluoropropyl)phenyl]benzene.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-4-[4-(1,2,2-trifluoropropyl)phenyl]benzene?
The canonical SMILES for 1-(4-ethylcyclohexyl)-4-[4-(1,2,2-trifluoropropyl)phenyl]benzene is CCC1CCC(c2ccc(-c3ccc(C(F)C(C)(F)F)cc3)cc2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-4-[4-(1,2,2-trifluoropropyl)phenyl]benzene?
The InChIKey is MPNMEHHIEHHMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3/c1-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(15-13-20)22(24)23(2,25)26/h8-17,22H,3-7H2,1-2H3.
What are the key properties of 1-(4-ethylcyclohexyl)-4-[4-(1,2,2-trifluoropropyl)phenyl]benzene?
1-(4-ethylcyclohexyl)-4-[4-(1,2,2-trifluoropropyl)phenyl]benzene has a molecular weight of 360.46 g/mol, XLogP of 7.70, 5 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-(1,2,2-trifluoropropyl)phenyl]benzene is sourced from PubChem (CID 54084592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).