[2,3,5,6-tetrafluoro-4-(prop-2-ynoxymethyl)phenyl]methanol

C11H8F4O2 — CID 14423031

IUPAC[2,3,5,6-tetrafluoro-4-(prop-2-ynoxymethyl)phenyl]methanol
SMILESC#CCOCc1c(F)c(F)c(CO)c(F)c1F
InChIInChI=1S/C11H8F4O2/c1-2-3-17-5-7-10(14)8(12)6(4-16)9(13)11(7)15/h1,16H,3-5H2
InChIKeyQWRZJAUMDYBTCG-UHFFFAOYSA-N
MW248.17 g/mol
LogP1.89
Rot. Bonds4

About [2,3,5,6-tetrafluoro-4-(prop-2-ynoxymethyl)phenyl]methanol

[2,3,5,6-tetrafluoro-4-(prop-2-ynoxymethyl)phenyl]methanol (PubChem CID 14423031) has the molecular formula C11H8F4O2 and a molecular weight of 248.17 g/mol. Its IUPAC name is [2,3,5,6-tetrafluoro-4-(prop-2-ynoxymethyl)phenyl]methanol.

Molecular Properties

Compound Name[2,3,5,6-tetrafluoro-4-(prop-2-ynoxymethyl)phenyl]methanol
PubChem CID14423031
Molecular FormulaC11H8F4O2
Molecular Weight248.17 g/mol
Exact Mass248.05
IUPAC Name[2,3,5,6-tetrafluoro-4-(prop-2-ynoxymethyl)phenyl]methanol
SMILESC#CCOCc1c(F)c(F)c(CO)c(F)c1F
InChIInChI=1S/C11H8F4O2/c1-2-3-17-5-7-10(14)8(12)6(4-16)9(13)11(7)15/h1,16H,3-5H2
InChIKeyQWRZJAUMDYBTCG-UHFFFAOYSA-N
XLogP1.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.17
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,3,5,6-tetrafluoro-4-(prop-2-ynoxymethyl)phenyl]methanol?
The IUPAC name of [2,3,5,6-tetrafluoro-4-(prop-2-ynoxymethyl)phenyl]methanol (CID 14423031) is [2,3,5,6-tetrafluoro-4-(prop-2-ynoxymethyl)phenyl]methanol.
What is the SMILES notation for [2,3,5,6-tetrafluoro-4-(prop-2-ynoxymethyl)phenyl]methanol?
The canonical SMILES for [2,3,5,6-tetrafluoro-4-(prop-2-ynoxymethyl)phenyl]methanol is C#CCOCc1c(F)c(F)c(CO)c(F)c1F.
What is the InChIKey of [2,3,5,6-tetrafluoro-4-(prop-2-ynoxymethyl)phenyl]methanol?
The InChIKey is QWRZJAUMDYBTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4O2/c1-2-3-17-5-7-10(14)8(12)6(4-16)9(13)11(7)15/h1,16H,3-5H2.
What are the key properties of [2,3,5,6-tetrafluoro-4-(prop-2-ynoxymethyl)phenyl]methanol?
[2,3,5,6-tetrafluoro-4-(prop-2-ynoxymethyl)phenyl]methanol has a molecular weight of 248.17 g/mol, XLogP of 1.89, 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-(prop-2-ynoxymethyl)phenyl]methanol is sourced from PubChem (CID 14423031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).