1-[4-(4-chloro-2-fluorophenyl)-2-hydroxycyclohexyl]ethanone

C14H16ClFO2 — CID 91322272

IUPAC1-[4-(4-chloro-2-fluorophenyl)-2-hydroxycyclohexyl]ethanone
SMILESCC(=O)C1CCC(c2ccc(Cl)cc2F)CC1O
InChIInChI=1S/C14H16ClFO2/c1-8(17)11-4-2-9(6-14(11)18)12-5-3-10(15)7-13(12)16/h3,5,7,9,11,14,18H,2,4,6H2,1H3
InChIKeyHMHQPIWMRAIEGO-UHFFFAOYSA-N
MW270.73 g/mol
LogP3.31
Rot. Bonds2

About 1-[4-(4-chloro-2-fluorophenyl)-2-hydroxycyclohexyl]ethanone

1-[4-(4-chloro-2-fluorophenyl)-2-hydroxycyclohexyl]ethanone (PubChem CID 91322272) has the molecular formula C14H16ClFO2 and a molecular weight of 270.73 g/mol. Its IUPAC name is 1-[4-(4-chloro-2-fluorophenyl)-2-hydroxycyclohexyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-chloro-2-fluorophenyl)-2-hydroxycyclohexyl]ethanone
PubChem CID91322272
Molecular FormulaC14H16ClFO2
Molecular Weight270.73 g/mol
Exact Mass270.08
IUPAC Name1-[4-(4-chloro-2-fluorophenyl)-2-hydroxycyclohexyl]ethanone
SMILESCC(=O)C1CCC(c2ccc(Cl)cc2F)CC1O
InChIInChI=1S/C14H16ClFO2/c1-8(17)11-4-2-9(6-14(11)18)12-5-3-10(15)7-13(12)16/h3,5,7,9,11,14,18H,2,4,6H2,1H3
InChIKeyHMHQPIWMRAIEGO-UHFFFAOYSA-N
XLogP3.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-2-fluorophenyl)-2-hydroxycyclohexyl]ethanone?
The IUPAC name of 1-[4-(4-chloro-2-fluorophenyl)-2-hydroxycyclohexyl]ethanone (CID 91322272) is 1-[4-(4-chloro-2-fluorophenyl)-2-hydroxycyclohexyl]ethanone.
What is the SMILES notation for 1-[4-(4-chloro-2-fluorophenyl)-2-hydroxycyclohexyl]ethanone?
The canonical SMILES for 1-[4-(4-chloro-2-fluorophenyl)-2-hydroxycyclohexyl]ethanone is CC(=O)C1CCC(c2ccc(Cl)cc2F)CC1O.
What is the InChIKey of 1-[4-(4-chloro-2-fluorophenyl)-2-hydroxycyclohexyl]ethanone?
The InChIKey is HMHQPIWMRAIEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFO2/c1-8(17)11-4-2-9(6-14(11)18)12-5-3-10(15)7-13(12)16/h3,5,7,9,11,14,18H,2,4,6H2,1H3.
What are the key properties of 1-[4-(4-chloro-2-fluorophenyl)-2-hydroxycyclohexyl]ethanone?
1-[4-(4-chloro-2-fluorophenyl)-2-hydroxycyclohexyl]ethanone has a molecular weight of 270.73 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-2-fluorophenyl)-2-hydroxycyclohexyl]ethanone is sourced from PubChem (CID 91322272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).