(2-chloro-6-fluorophenyl)methyl cyclohexanecarboxylate

C14H16ClFO2 — CID 2436177

IUPAC(2-chloro-6-fluorophenyl)methyl cyclohexanecarboxylate
SMILESO=C(OCc1c(F)cccc1Cl)C1CCCCC1
InChIInChI=1S/C14H16ClFO2/c15-12-7-4-8-13(16)11(12)9-18-14(17)10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2
InChIKeyRJAIYFROXBXTDI-UHFFFAOYSA-N
MW270.73 g/mol
LogP4.10
Rot. Bonds3

About (2-chloro-6-fluorophenyl)methyl cyclohexanecarboxylate

(2-chloro-6-fluorophenyl)methyl cyclohexanecarboxylate (PubChem CID 2436177) has the molecular formula C14H16ClFO2 and a molecular weight of 270.73 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl cyclohexanecarboxylate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl cyclohexanecarboxylate
PubChem CID2436177
Molecular FormulaC14H16ClFO2
Molecular Weight270.73 g/mol
Exact Mass270.08
IUPAC Name(2-chloro-6-fluorophenyl)methyl cyclohexanecarboxylate
SMILESO=C(OCc1c(F)cccc1Cl)C1CCCCC1
InChIInChI=1S/C14H16ClFO2/c15-12-7-4-8-13(16)11(12)9-18-14(17)10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2
InChIKeyRJAIYFROXBXTDI-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-6-fluorophenyl)methyl 2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 7906828
(2-chloro-6-fluorophenyl)methyl 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 46792377
(2-chloro-6-fluorophenyl)methyl 5-oxo-1-phenylpyrrolidine-3-carboxylate
CID 19590567
(2-chloro-6-fluorophenyl)methyl 2,3,4,5,6-pentafluorobenzoate
CID 91742427
(2-chloro-6-fluorophenyl)methyl 2-aminopropanoate
CID 82115903
2-(2-chloro-6-fluorophenyl)-N-cyclohexylacetamide
CID 974091
N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclohexylmethanamine
CID 43215545
N-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine
CID 4720325
(2-chloro-6-fluorophenyl)methyl 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 3392488
(2-chloro-6-fluorophenyl)methyl 2-amino-6-chlorobenzoate
CID 63661844
2-(2-chloro-3-fluorophenyl)-1-cyclooctylethanone
CID 112653394
2-[(2-chloro-6-fluorophenyl)methoxy]acetic acid
CID 82158643

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl cyclohexanecarboxylate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl cyclohexanecarboxylate (CID 2436177) is (2-chloro-6-fluorophenyl)methyl cyclohexanecarboxylate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl cyclohexanecarboxylate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl cyclohexanecarboxylate is O=C(OCc1c(F)cccc1Cl)C1CCCCC1.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl cyclohexanecarboxylate?
The InChIKey is RJAIYFROXBXTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFO2/c15-12-7-4-8-13(16)11(12)9-18-14(17)10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2.
What are the key properties of (2-chloro-6-fluorophenyl)methyl cyclohexanecarboxylate?
(2-chloro-6-fluorophenyl)methyl cyclohexanecarboxylate has a molecular weight of 270.73 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl cyclohexanecarboxylate is sourced from PubChem (CID 2436177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).