fluoro 2-cyclohexyl-3-fluorobenzoate

C13H14F2O2 — CID 174798429

IUPACfluoro 2-cyclohexyl-3-fluorobenzoate
SMILESO=C(OF)c1cccc(F)c1C1CCCCC1
InChIInChI=1S/C13H14F2O2/c14-11-8-4-7-10(13(16)17-15)12(11)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2
InChIKeyYOQMPADHTSYBLP-UHFFFAOYSA-N
MW240.25 g/mol
LogP3.91
Rot. Bonds2

About fluoro 2-cyclohexyl-3-fluorobenzoate

fluoro 2-cyclohexyl-3-fluorobenzoate (PubChem CID 174798429) has the molecular formula C13H14F2O2 and a molecular weight of 240.25 g/mol. Its IUPAC name is fluoro 2-cyclohexyl-3-fluorobenzoate.

Molecular Properties

Compound Namefluoro 2-cyclohexyl-3-fluorobenzoate
PubChem CID174798429
Molecular FormulaC13H14F2O2
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Namefluoro 2-cyclohexyl-3-fluorobenzoate
SMILESO=C(OF)c1cccc(F)c1C1CCCCC1
InChIInChI=1S/C13H14F2O2/c14-11-8-4-7-10(13(16)17-15)12(11)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2
InChIKeyYOQMPADHTSYBLP-UHFFFAOYSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyl-3-fluorobenzamide
CID 89477243
bis(2-cyclopropyl-3-fluorophenyl)methanone
CID 73011767
2-cyclopentyl-3-fluorophenol
CID 117104118
(cyclohexylamino) 2-fluorobenzoate
CID 144857629
2-cyclohexyl-3-hydroxybenzoic acid
CID 141251925
[2-(2-fluorobenzoyl)oxycyclohexyl] 2-fluorobenzoate
CID 45155689
methyl 2-cyclobutyl-3-iodobenzoate
CID 175864444
1-chloro-3-(2,6-difluorophenyl)cycloheptane
CID 64508867
2-amino-N-cyclohexyl-3-fluorobenzamide
CID 55099758
3-cyclohexyl-2-fluorobenzamide
CID 142776335
2-(2,6-difluorophenyl)cyclopentane-1-carboxylic acid
CID 81008993
2-(1-benzylpiperidin-4-yl)-3-fluorobenzoic acid;2-fluorobenzoic acid
CID 67635602

Frequently Asked Questions

What is the IUPAC name of fluoro 2-cyclohexyl-3-fluorobenzoate?
The IUPAC name of fluoro 2-cyclohexyl-3-fluorobenzoate (CID 174798429) is fluoro 2-cyclohexyl-3-fluorobenzoate.
What is the SMILES notation for fluoro 2-cyclohexyl-3-fluorobenzoate?
The canonical SMILES for fluoro 2-cyclohexyl-3-fluorobenzoate is O=C(OF)c1cccc(F)c1C1CCCCC1.
What is the InChIKey of fluoro 2-cyclohexyl-3-fluorobenzoate?
The InChIKey is YOQMPADHTSYBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O2/c14-11-8-4-7-10(13(16)17-15)12(11)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2.
What are the key properties of fluoro 2-cyclohexyl-3-fluorobenzoate?
fluoro 2-cyclohexyl-3-fluorobenzoate has a molecular weight of 240.25 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-cyclohexyl-3-fluorobenzoate is sourced from PubChem (CID 174798429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).