2-[4-(4-chlorophenoxy)phenyl]-2,2-difluoroethanol

C14H11ClF2O2 — CID 146201622

IUPAC2-[4-(4-chlorophenoxy)phenyl]-2,2-difluoroethanol
SMILESOCC(F)(F)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H11ClF2O2/c15-11-3-7-13(8-4-11)19-12-5-1-10(2-6-12)14(16,17)9-18/h1-8,18H,9H2
InChIKeyOPUUCTIMFASEJV-UHFFFAOYSA-N
MW284.69 g/mol
LogP4.22
Rot. Bonds4

About 2-[4-(4-chlorophenoxy)phenyl]-2,2-difluoroethanol

2-[4-(4-chlorophenoxy)phenyl]-2,2-difluoroethanol (PubChem CID 146201622) has the molecular formula C14H11ClF2O2 and a molecular weight of 284.69 g/mol. Its IUPAC name is 2-[4-(4-chlorophenoxy)phenyl]-2,2-difluoroethanol.

Molecular Properties

Compound Name2-[4-(4-chlorophenoxy)phenyl]-2,2-difluoroethanol
PubChem CID146201622
Molecular FormulaC14H11ClF2O2
Molecular Weight284.69 g/mol
Exact Mass284.04
IUPAC Name2-[4-(4-chlorophenoxy)phenyl]-2,2-difluoroethanol
SMILESOCC(F)(F)c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H11ClF2O2/c15-11-3-7-13(8-4-11)19-12-5-1-10(2-6-12)14(16,17)9-18/h1-8,18H,9H2
InChIKeyOPUUCTIMFASEJV-UHFFFAOYSA-N
XLogP4.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.69
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenoxy)phenyl]-2,2-difluoroethanol?
The IUPAC name of 2-[4-(4-chlorophenoxy)phenyl]-2,2-difluoroethanol (CID 146201622) is 2-[4-(4-chlorophenoxy)phenyl]-2,2-difluoroethanol.
What is the SMILES notation for 2-[4-(4-chlorophenoxy)phenyl]-2,2-difluoroethanol?
The canonical SMILES for 2-[4-(4-chlorophenoxy)phenyl]-2,2-difluoroethanol is OCC(F)(F)c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-(4-chlorophenoxy)phenyl]-2,2-difluoroethanol?
The InChIKey is OPUUCTIMFASEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2O2/c15-11-3-7-13(8-4-11)19-12-5-1-10(2-6-12)14(16,17)9-18/h1-8,18H,9H2.
What are the key properties of 2-[4-(4-chlorophenoxy)phenyl]-2,2-difluoroethanol?
2-[4-(4-chlorophenoxy)phenyl]-2,2-difluoroethanol has a molecular weight of 284.69 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenoxy)phenyl]-2,2-difluoroethanol is sourced from PubChem (CID 146201622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).