4-[4-(difluoromethyl)-2-(trifluoromethyl)phenoxy]phenol

C14H9F5O2 — CID 175703353

IUPAC4-[4-(difluoromethyl)-2-(trifluoromethyl)phenoxy]phenol
SMILESOc1ccc(Oc2ccc(C(F)F)cc2C(F)(F)F)cc1
InChIInChI=1S/C14H9F5O2/c15-13(16)8-1-6-12(11(7-8)14(17,18)19)21-10-4-2-9(20)3-5-10/h1-7,13,20H
InChIKeyGDCIDXXBNIFRJM-UHFFFAOYSA-N
MW304.21 g/mol
LogP5.14
Rot. Bonds3

About 4-[4-(difluoromethyl)-2-(trifluoromethyl)phenoxy]phenol

4-[4-(difluoromethyl)-2-(trifluoromethyl)phenoxy]phenol (PubChem CID 175703353) has the molecular formula C14H9F5O2 and a molecular weight of 304.21 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)-2-(trifluoromethyl)phenoxy]phenol.

Molecular Properties

Compound Name4-[4-(difluoromethyl)-2-(trifluoromethyl)phenoxy]phenol
PubChem CID175703353
Molecular FormulaC14H9F5O2
Molecular Weight304.21 g/mol
Exact Mass304.05
IUPAC Name4-[4-(difluoromethyl)-2-(trifluoromethyl)phenoxy]phenol
SMILESOc1ccc(Oc2ccc(C(F)F)cc2C(F)(F)F)cc1
InChIInChI=1S/C14H9F5O2/c15-13(16)8-1-6-12(11(7-8)14(17,18)19)21-10-4-2-9(20)3-5-10/h1-7,13,20H
InChIKeyGDCIDXXBNIFRJM-UHFFFAOYSA-N
XLogP5.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.21
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethyl)-2-(trifluoromethyl)phenoxy]phenol?
The IUPAC name of 4-[4-(difluoromethyl)-2-(trifluoromethyl)phenoxy]phenol (CID 175703353) is 4-[4-(difluoromethyl)-2-(trifluoromethyl)phenoxy]phenol.
What is the SMILES notation for 4-[4-(difluoromethyl)-2-(trifluoromethyl)phenoxy]phenol?
The canonical SMILES for 4-[4-(difluoromethyl)-2-(trifluoromethyl)phenoxy]phenol is Oc1ccc(Oc2ccc(C(F)F)cc2C(F)(F)F)cc1.
What is the InChIKey of 4-[4-(difluoromethyl)-2-(trifluoromethyl)phenoxy]phenol?
The InChIKey is GDCIDXXBNIFRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F5O2/c15-13(16)8-1-6-12(11(7-8)14(17,18)19)21-10-4-2-9(20)3-5-10/h1-7,13,20H.
What are the key properties of 4-[4-(difluoromethyl)-2-(trifluoromethyl)phenoxy]phenol?
4-[4-(difluoromethyl)-2-(trifluoromethyl)phenoxy]phenol has a molecular weight of 304.21 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethyl)-2-(trifluoromethyl)phenoxy]phenol is sourced from PubChem (CID 175703353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).