1-[(4-butylcyclohexyl)methyl]-3-(trifluoromethyl)benzene

C18H25F3 — CID 86203773

IUPAC1-[(4-butylcyclohexyl)methyl]-3-(trifluoromethyl)benzene
SMILESCCCCC1CCC(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H25F3/c1-2-3-5-14-8-10-15(11-9-14)12-16-6-4-7-17(13-16)18(19,20)21/h4,6-7,13-15H,2-3,5,8-12H2,1H3
InChIKeyJZOPMMFJBQWAGL-UHFFFAOYSA-N
MW298.39 g/mol
LogP6.24
Rot. Bonds5

About 1-[(4-butylcyclohexyl)methyl]-3-(trifluoromethyl)benzene

1-[(4-butylcyclohexyl)methyl]-3-(trifluoromethyl)benzene (PubChem CID 86203773) has the molecular formula C18H25F3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[(4-butylcyclohexyl)methyl]-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(4-butylcyclohexyl)methyl]-3-(trifluoromethyl)benzene
PubChem CID86203773
Molecular FormulaC18H25F3
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name1-[(4-butylcyclohexyl)methyl]-3-(trifluoromethyl)benzene
SMILESCCCCC1CCC(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H25F3/c1-2-3-5-14-8-10-15(11-9-14)12-16-6-4-7-17(13-16)18(19,20)21/h4,6-7,13-15H,2-3,5,8-12H2,1H3
InChIKeyJZOPMMFJBQWAGL-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-difluoro-5-[(4-pentylcyclohexyl)methyl]-2-[4-(trifluoromethyl)phenyl]benzene
CID 139696588
(2R)-1-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]aziridine
CID 10878939
1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 110539722
2-(4-butylcyclohexyl)ethylbenzene
CID 19899703
1-(4-ethylcyclohexyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 65393505
tert-butyl N-[4-[2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]ethyl]cyclohexyl]carbamate
CID 68902335
N-octyl-N-[[3-(trifluoromethyl)phenyl]methyl]octan-1-amine
CID 6426222
2-fluoro-1-[4-(4-nonylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
CID 139779219
(4-propylcyclohexyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 65423947
1-chloro-2-[[3-(trifluoromethyl)phenyl]methyl]cycloheptane
CID 63459682
1-[3-(trifluoromethyl)phenyl]heptan-2-ol
CID 65149247
2-chloro-4-(trifluoromethyl)-1-[4-(4-undecylcyclohexyl)cyclohexyl]benzene
CID 139779221

Frequently Asked Questions

What is the IUPAC name of 1-[(4-butylcyclohexyl)methyl]-3-(trifluoromethyl)benzene?
The IUPAC name of 1-[(4-butylcyclohexyl)methyl]-3-(trifluoromethyl)benzene (CID 86203773) is 1-[(4-butylcyclohexyl)methyl]-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(4-butylcyclohexyl)methyl]-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(4-butylcyclohexyl)methyl]-3-(trifluoromethyl)benzene is CCCCC1CCC(Cc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[(4-butylcyclohexyl)methyl]-3-(trifluoromethyl)benzene?
The InChIKey is JZOPMMFJBQWAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3/c1-2-3-5-14-8-10-15(11-9-14)12-16-6-4-7-17(13-16)18(19,20)21/h4,6-7,13-15H,2-3,5,8-12H2,1H3.
What are the key properties of 1-[(4-butylcyclohexyl)methyl]-3-(trifluoromethyl)benzene?
1-[(4-butylcyclohexyl)methyl]-3-(trifluoromethyl)benzene has a molecular weight of 298.39 g/mol, XLogP of 6.24, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-butylcyclohexyl)methyl]-3-(trifluoromethyl)benzene is sourced from PubChem (CID 86203773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).