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

C9H8F4O2 — CID 11172116

IUPAC[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methanol
SMILESCOCc1c(F)c(F)c(CO)c(F)c1F
InChIInChI=1S/C9H8F4O2/c1-15-3-5-8(12)6(10)4(2-14)7(11)9(5)13/h14H,2-3H2,1H3
InChIKeyYFHZSPDQKWFAPH-UHFFFAOYSA-N
MW224.15 g/mol
LogP1.88
Rot. Bonds3

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

[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methanol (PubChem CID 11172116) has the molecular formula C9H8F4O2 and a molecular weight of 224.15 g/mol. Its IUPAC name is [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methanol.

Molecular Properties

Compound Name[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methanol
PubChem CID11172116
Molecular FormulaC9H8F4O2
Molecular Weight224.15 g/mol
Exact Mass224.05
IUPAC Name[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methanol
SMILESCOCc1c(F)c(F)c(CO)c(F)c1F
InChIInChI=1S/C9H8F4O2/c1-15-3-5-8(12)6(10)4(2-14)7(11)9(5)13/h14H,2-3H2,1H3
InChIKeyYFHZSPDQKWFAPH-UHFFFAOYSA-N
XLogP1.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.15
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methanol?
The IUPAC name of [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methanol (CID 11172116) is [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methanol.
What is the SMILES notation for [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methanol?
The canonical SMILES for [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methanol is COCc1c(F)c(F)c(CO)c(F)c1F.
What is the InChIKey of [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methanol?
The InChIKey is YFHZSPDQKWFAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4O2/c1-15-3-5-8(12)6(10)4(2-14)7(11)9(5)13/h14H,2-3H2,1H3.
What are the key properties of [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methanol?
[2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methanol has a molecular weight of 224.15 g/mol, XLogP of 1.88, 3 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-(methoxymethyl)phenyl]methanol is sourced from PubChem (CID 11172116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).