cyclohexyl 4-fluoro-3-(trifluoromethyl)benzoate

C14H14F4O2 — CID 63839194

IUPACcyclohexyl 4-fluoro-3-(trifluoromethyl)benzoate
SMILESO=C(OC1CCCCC1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H14F4O2/c15-12-7-6-9(8-11(12)14(16,17)18)13(19)20-10-4-2-1-3-5-10/h6-8,10H,1-5H2
InChIKeyLTILIHBNEZVENU-UHFFFAOYSA-N
MW290.26 g/mol
LogP4.33
Rot. Bonds2

About cyclohexyl 4-fluoro-3-(trifluoromethyl)benzoate

cyclohexyl 4-fluoro-3-(trifluoromethyl)benzoate (PubChem CID 63839194) has the molecular formula C14H14F4O2 and a molecular weight of 290.26 g/mol. Its IUPAC name is cyclohexyl 4-fluoro-3-(trifluoromethyl)benzoate.

Molecular Properties

Compound Namecyclohexyl 4-fluoro-3-(trifluoromethyl)benzoate
PubChem CID63839194
Molecular FormulaC14H14F4O2
Molecular Weight290.26 g/mol
Exact Mass290.09
IUPAC Namecyclohexyl 4-fluoro-3-(trifluoromethyl)benzoate
SMILESO=C(OC1CCCCC1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H14F4O2/c15-12-7-6-9(8-11(12)14(16,17)18)13(19)20-10-4-2-1-3-5-10/h6-8,10H,1-5H2
InChIKeyLTILIHBNEZVENU-UHFFFAOYSA-N
XLogP4.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutyl 3,4-difluorobenzoate
CID 174934695
cyclopentyl 3-amino-4-fluorobenzoate
CID 61279217
cyclopentyl 4-(trifluoromethyl)benzoate
CID 599230
cyclohexyl 4-fluoro-3-nitrobenzoate
CID 60659804
cycloheptyl 4-fluoro-3-nitrobenzoate
CID 60659718
cyclopentyl 4-fluorobenzoate
CID 579482
2-cyclohexyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
CID 114967621
2-cyclopentyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
CID 114969279
cycloheptyl 3-fluoro-4-nitrobenzoate
CID 63118950
cyclohexyl 3-(dimethylsulfamoyl)-4-fluorobenzoate
CID 52651787
cyclohexyl 2-(trifluoromethyl)benzoate
CID 599398
cyclohexyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate
CID 55335058

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-fluoro-3-(trifluoromethyl)benzoate?
The IUPAC name of cyclohexyl 4-fluoro-3-(trifluoromethyl)benzoate (CID 63839194) is cyclohexyl 4-fluoro-3-(trifluoromethyl)benzoate.
What is the SMILES notation for cyclohexyl 4-fluoro-3-(trifluoromethyl)benzoate?
The canonical SMILES for cyclohexyl 4-fluoro-3-(trifluoromethyl)benzoate is O=C(OC1CCCCC1)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of cyclohexyl 4-fluoro-3-(trifluoromethyl)benzoate?
The InChIKey is LTILIHBNEZVENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F4O2/c15-12-7-6-9(8-11(12)14(16,17)18)13(19)20-10-4-2-1-3-5-10/h6-8,10H,1-5H2.
What are the key properties of cyclohexyl 4-fluoro-3-(trifluoromethyl)benzoate?
cyclohexyl 4-fluoro-3-(trifluoromethyl)benzoate has a molecular weight of 290.26 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-fluoro-3-(trifluoromethyl)benzoate is sourced from PubChem (CID 63839194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).