1-[2-(4-chlorophenoxy)phenyl]-1,2,2-trifluoroethanol

C14H10ClF3O2 — CID 20571120

IUPAC1-[2-(4-chlorophenoxy)phenyl]-1,2,2-trifluoroethanol
SMILESOC(F)(c1ccccc1Oc1ccc(Cl)cc1)C(F)F
InChIInChI=1S/C14H10ClF3O2/c15-9-5-7-10(8-6-9)20-12-4-2-1-3-11(12)14(18,19)13(16)17/h1-8,13,19H
InChIKeySFHXWDHQMRHUFI-UHFFFAOYSA-N
MW302.68 g/mol
LogP4.51
Rot. Bonds4

About 1-[2-(4-chlorophenoxy)phenyl]-1,2,2-trifluoroethanol

1-[2-(4-chlorophenoxy)phenyl]-1,2,2-trifluoroethanol (PubChem CID 20571120) has the molecular formula C14H10ClF3O2 and a molecular weight of 302.68 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)phenyl]-1,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)phenyl]-1,2,2-trifluoroethanol
PubChem CID20571120
Molecular FormulaC14H10ClF3O2
Molecular Weight302.68 g/mol
Exact Mass302.03
IUPAC Name1-[2-(4-chlorophenoxy)phenyl]-1,2,2-trifluoroethanol
SMILESOC(F)(c1ccccc1Oc1ccc(Cl)cc1)C(F)F
InChIInChI=1S/C14H10ClF3O2/c15-9-5-7-10(8-6-9)20-12-4-2-1-3-11(12)14(18,19)13(16)17/h1-8,13,19H
InChIKeySFHXWDHQMRHUFI-UHFFFAOYSA-N
XLogP4.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.68
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)phenyl]-1,2,2-trifluoroethanol?
The IUPAC name of 1-[2-(4-chlorophenoxy)phenyl]-1,2,2-trifluoroethanol (CID 20571120) is 1-[2-(4-chlorophenoxy)phenyl]-1,2,2-trifluoroethanol.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)phenyl]-1,2,2-trifluoroethanol?
The canonical SMILES for 1-[2-(4-chlorophenoxy)phenyl]-1,2,2-trifluoroethanol is OC(F)(c1ccccc1Oc1ccc(Cl)cc1)C(F)F.
What is the InChIKey of 1-[2-(4-chlorophenoxy)phenyl]-1,2,2-trifluoroethanol?
The InChIKey is SFHXWDHQMRHUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3O2/c15-9-5-7-10(8-6-9)20-12-4-2-1-3-11(12)14(18,19)13(16)17/h1-8,13,19H.
What are the key properties of 1-[2-(4-chlorophenoxy)phenyl]-1,2,2-trifluoroethanol?
1-[2-(4-chlorophenoxy)phenyl]-1,2,2-trifluoroethanol has a molecular weight of 302.68 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)phenyl]-1,2,2-trifluoroethanol is sourced from PubChem (CID 20571120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).