2-tert-butyl-3-(1,1,2,2-tetrafluoroethoxy)phenol

C12H14F4O2 — CID 174254528

IUPAC2-tert-butyl-3-(1,1,2,2-tetrafluoroethoxy)phenol
SMILESCC(C)(C)c1c(O)cccc1OC(F)(F)C(F)F
InChIInChI=1S/C12H14F4O2/c1-11(2,3)9-7(17)5-4-6-8(9)18-12(15,16)10(13)14/h4-6,10,17H,1-3H3
InChIKeyHVIQRZPCGHZWNN-UHFFFAOYSA-N
MW266.23 g/mol
LogP3.93
Rot. Bonds3

About 2-tert-butyl-3-(1,1,2,2-tetrafluoroethoxy)phenol

2-tert-butyl-3-(1,1,2,2-tetrafluoroethoxy)phenol (PubChem CID 174254528) has the molecular formula C12H14F4O2 and a molecular weight of 266.23 g/mol. Its IUPAC name is 2-tert-butyl-3-(1,1,2,2-tetrafluoroethoxy)phenol.

Molecular Properties

Compound Name2-tert-butyl-3-(1,1,2,2-tetrafluoroethoxy)phenol
PubChem CID174254528
Molecular FormulaC12H14F4O2
Molecular Weight266.23 g/mol
Exact Mass266.09
IUPAC Name2-tert-butyl-3-(1,1,2,2-tetrafluoroethoxy)phenol
SMILESCC(C)(C)c1c(O)cccc1OC(F)(F)C(F)F
InChIInChI=1S/C12H14F4O2/c1-11(2,3)9-7(17)5-4-6-8(9)18-12(15,16)10(13)14/h4-6,10,17H,1-3H3
InChIKeyHVIQRZPCGHZWNN-UHFFFAOYSA-N
XLogP3.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-(1,1,2,2-tetrafluoroethoxy)phenol?
The IUPAC name of 2-tert-butyl-3-(1,1,2,2-tetrafluoroethoxy)phenol (CID 174254528) is 2-tert-butyl-3-(1,1,2,2-tetrafluoroethoxy)phenol.
What is the SMILES notation for 2-tert-butyl-3-(1,1,2,2-tetrafluoroethoxy)phenol?
The canonical SMILES for 2-tert-butyl-3-(1,1,2,2-tetrafluoroethoxy)phenol is CC(C)(C)c1c(O)cccc1OC(F)(F)C(F)F.
What is the InChIKey of 2-tert-butyl-3-(1,1,2,2-tetrafluoroethoxy)phenol?
The InChIKey is HVIQRZPCGHZWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4O2/c1-11(2,3)9-7(17)5-4-6-8(9)18-12(15,16)10(13)14/h4-6,10,17H,1-3H3.
What are the key properties of 2-tert-butyl-3-(1,1,2,2-tetrafluoroethoxy)phenol?
2-tert-butyl-3-(1,1,2,2-tetrafluoroethoxy)phenol has a molecular weight of 266.23 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-(1,1,2,2-tetrafluoroethoxy)phenol is sourced from PubChem (CID 174254528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).