3-(2-chloro-4-fluorophenoxy)cyclobutan-1-ol

C10H10ClFO2 — CID 66346048

IUPAC3-(2-chloro-4-fluorophenoxy)cyclobutan-1-ol
SMILESOC1CC(Oc2ccc(F)cc2Cl)C1
InChIInChI=1S/C10H10ClFO2/c11-9-3-6(12)1-2-10(9)14-8-4-7(13)5-8/h1-3,7-8,13H,4-5H2
InChIKeyYWKOIIHYJZSEDS-UHFFFAOYSA-N
MW216.64 g/mol
LogP2.38
Rot. Bonds2

About 3-(2-chloro-4-fluorophenoxy)cyclobutan-1-ol

3-(2-chloro-4-fluorophenoxy)cyclobutan-1-ol (PubChem CID 66346048) has the molecular formula C10H10ClFO2 and a molecular weight of 216.64 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenoxy)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenoxy)cyclobutan-1-ol
PubChem CID66346048
Molecular FormulaC10H10ClFO2
Molecular Weight216.64 g/mol
Exact Mass216.04
IUPAC Name3-(2-chloro-4-fluorophenoxy)cyclobutan-1-ol
SMILESOC1CC(Oc2ccc(F)cc2Cl)C1
InChIInChI=1S/C10H10ClFO2/c11-9-3-6(12)1-2-10(9)14-8-4-7(13)5-8/h1-3,7-8,13H,4-5H2
InChIKeyYWKOIIHYJZSEDS-UHFFFAOYSA-N
XLogP2.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenoxy)cyclobutan-1-ol?
The IUPAC name of 3-(2-chloro-4-fluorophenoxy)cyclobutan-1-ol (CID 66346048) is 3-(2-chloro-4-fluorophenoxy)cyclobutan-1-ol.
What is the SMILES notation for 3-(2-chloro-4-fluorophenoxy)cyclobutan-1-ol?
The canonical SMILES for 3-(2-chloro-4-fluorophenoxy)cyclobutan-1-ol is OC1CC(Oc2ccc(F)cc2Cl)C1.
What is the InChIKey of 3-(2-chloro-4-fluorophenoxy)cyclobutan-1-ol?
The InChIKey is YWKOIIHYJZSEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO2/c11-9-3-6(12)1-2-10(9)14-8-4-7(13)5-8/h1-3,7-8,13H,4-5H2.
What are the key properties of 3-(2-chloro-4-fluorophenoxy)cyclobutan-1-ol?
3-(2-chloro-4-fluorophenoxy)cyclobutan-1-ol has a molecular weight of 216.64 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenoxy)cyclobutan-1-ol is sourced from PubChem (CID 66346048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).