1-(2-cyclohexylethyl)-4-(trifluoromethoxy)cyclohexane

C15H25F3O — CID 90243596

IUPAC1-(2-cyclohexylethyl)-4-(trifluoromethoxy)cyclohexane
SMILESFC(F)(F)OC1CCC(CCC2CCCCC2)CC1
InChIInChI=1S/C15H25F3O/c16-15(17,18)19-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h12-14H,1-11H2
InChIKeyDQSBBLUUEOPZDP-UHFFFAOYSA-N
MW278.36 g/mol
LogP5.44
Rot. Bonds4

About 1-(2-cyclohexylethyl)-4-(trifluoromethoxy)cyclohexane

1-(2-cyclohexylethyl)-4-(trifluoromethoxy)cyclohexane (PubChem CID 90243596) has the molecular formula C15H25F3O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-4-(trifluoromethoxy)cyclohexane.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-4-(trifluoromethoxy)cyclohexane
PubChem CID90243596
Molecular FormulaC15H25F3O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name1-(2-cyclohexylethyl)-4-(trifluoromethoxy)cyclohexane
SMILESFC(F)(F)OC1CCC(CCC2CCCCC2)CC1
InChIInChI=1S/C15H25F3O/c16-15(17,18)19-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h12-14H,1-11H2
InChIKeyDQSBBLUUEOPZDP-UHFFFAOYSA-N
XLogP5.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.36
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

trifluoromethoxycyclobutane
CID 118087158
1-[difluoro-(4-methylcyclohexyl)oxymethyl]-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane
CID 59938742
4-(trifluoromethoxy)cyclohexan-1-ol
CID 137347053
2-(4-propylcyclohexyl)-6-(trifluoromethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22352805
[3-(trifluoromethoxy)cyclohexyl]methanamine
CID 137347142
1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
CID 70430254
3,3,3-trifluoropropylcyclooctane
CID 153173633
1-but-3-enyl-3-(trifluoromethoxy)cyclohexane
CID 91116227
2-fluoroethylcyclodecane
CID 70177675
[4-[(E)-pent-3-enyl]cyclohexyl]methyl-[4-(trifluoromethoxy)cyclohexyl]silane
CID 147072606
cis-(1R,3S)-3-(trifluoromethoxy)cyclopentan-1-amine;dihydrochloride
CID 175891524
4-cyclopentylbutylcyclohexane
CID 144547696

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-4-(trifluoromethoxy)cyclohexane?
The IUPAC name of 1-(2-cyclohexylethyl)-4-(trifluoromethoxy)cyclohexane (CID 90243596) is 1-(2-cyclohexylethyl)-4-(trifluoromethoxy)cyclohexane.
What is the SMILES notation for 1-(2-cyclohexylethyl)-4-(trifluoromethoxy)cyclohexane?
The canonical SMILES for 1-(2-cyclohexylethyl)-4-(trifluoromethoxy)cyclohexane is FC(F)(F)OC1CCC(CCC2CCCCC2)CC1.
What is the InChIKey of 1-(2-cyclohexylethyl)-4-(trifluoromethoxy)cyclohexane?
The InChIKey is DQSBBLUUEOPZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3O/c16-15(17,18)19-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h12-14H,1-11H2.
What are the key properties of 1-(2-cyclohexylethyl)-4-(trifluoromethoxy)cyclohexane?
1-(2-cyclohexylethyl)-4-(trifluoromethoxy)cyclohexane has a molecular weight of 278.36 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-4-(trifluoromethoxy)cyclohexane is sourced from PubChem (CID 90243596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).