[2,3,5,6-tetrafluoro-4-(propan-2-yloxymethyl)phenyl]methanol

C11H12F4O2 — CID 14718894

IUPAC[2,3,5,6-tetrafluoro-4-(propan-2-yloxymethyl)phenyl]methanol
SMILESCC(C)OCc1c(F)c(F)c(CO)c(F)c1F
InChIInChI=1S/C11H12F4O2/c1-5(2)17-4-7-10(14)8(12)6(3-16)9(13)11(7)15/h5,16H,3-4H2,1-2H3
InChIKeyQDFRHMXGZQWRSD-UHFFFAOYSA-N
MW252.21 g/mol
LogP2.66
Rot. Bonds4

About [2,3,5,6-tetrafluoro-4-(propan-2-yloxymethyl)phenyl]methanol

[2,3,5,6-tetrafluoro-4-(propan-2-yloxymethyl)phenyl]methanol (PubChem CID 14718894) has the molecular formula C11H12F4O2 and a molecular weight of 252.21 g/mol. Its IUPAC name is [2,3,5,6-tetrafluoro-4-(propan-2-yloxymethyl)phenyl]methanol.

Molecular Properties

Compound Name[2,3,5,6-tetrafluoro-4-(propan-2-yloxymethyl)phenyl]methanol
PubChem CID14718894
Molecular FormulaC11H12F4O2
Molecular Weight252.21 g/mol
Exact Mass252.08
IUPAC Name[2,3,5,6-tetrafluoro-4-(propan-2-yloxymethyl)phenyl]methanol
SMILESCC(C)OCc1c(F)c(F)c(CO)c(F)c1F
InChIInChI=1S/C11H12F4O2/c1-5(2)17-4-7-10(14)8(12)6(3-16)9(13)11(7)15/h5,16H,3-4H2,1-2H3
InChIKeyQDFRHMXGZQWRSD-UHFFFAOYSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,3,5,6-tetrafluoro-4-(propan-2-yloxymethyl)phenyl]methanol?
The IUPAC name of [2,3,5,6-tetrafluoro-4-(propan-2-yloxymethyl)phenyl]methanol (CID 14718894) is [2,3,5,6-tetrafluoro-4-(propan-2-yloxymethyl)phenyl]methanol.
What is the SMILES notation for [2,3,5,6-tetrafluoro-4-(propan-2-yloxymethyl)phenyl]methanol?
The canonical SMILES for [2,3,5,6-tetrafluoro-4-(propan-2-yloxymethyl)phenyl]methanol is CC(C)OCc1c(F)c(F)c(CO)c(F)c1F.
What is the InChIKey of [2,3,5,6-tetrafluoro-4-(propan-2-yloxymethyl)phenyl]methanol?
The InChIKey is QDFRHMXGZQWRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4O2/c1-5(2)17-4-7-10(14)8(12)6(3-16)9(13)11(7)15/h5,16H,3-4H2,1-2H3.
What are the key properties of [2,3,5,6-tetrafluoro-4-(propan-2-yloxymethyl)phenyl]methanol?
[2,3,5,6-tetrafluoro-4-(propan-2-yloxymethyl)phenyl]methanol has a molecular weight of 252.21 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,5,6-tetrafluoro-4-(propan-2-yloxymethyl)phenyl]methanol is sourced from PubChem (CID 14718894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).