(2,6-dimethylphenoxy)-difluoromethanol

C9H10F2O2 — CID 134547391

IUPAC(2,6-dimethylphenoxy)-difluoromethanol
SMILESCc1cccc(C)c1OC(O)(F)F
InChIInChI=1S/C9H10F2O2/c1-6-4-3-5-7(2)8(6)13-9(10,11)12/h3-5,12H,1-2H3
InChIKeyJRTLXSBQSLCXMK-UHFFFAOYSA-N
MW188.17 g/mol
LogP2.22
Rot. Bonds2

About (2,6-dimethylphenoxy)-difluoromethanol

(2,6-dimethylphenoxy)-difluoromethanol (PubChem CID 134547391) has the molecular formula C9H10F2O2 and a molecular weight of 188.17 g/mol. Its IUPAC name is (2,6-dimethylphenoxy)-difluoromethanol.

Molecular Properties

Compound Name(2,6-dimethylphenoxy)-difluoromethanol
PubChem CID134547391
Molecular FormulaC9H10F2O2
Molecular Weight188.17 g/mol
Exact Mass188.06
IUPAC Name(2,6-dimethylphenoxy)-difluoromethanol
SMILESCc1cccc(C)c1OC(O)(F)F
InChIInChI=1S/C9H10F2O2/c1-6-4-3-5-7(2)8(6)13-9(10,11)12/h3-5,12H,1-2H3
InChIKeyJRTLXSBQSLCXMK-UHFFFAOYSA-N
XLogP2.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenoxy)-difluoromethanol?
The IUPAC name of (2,6-dimethylphenoxy)-difluoromethanol (CID 134547391) is (2,6-dimethylphenoxy)-difluoromethanol.
What is the SMILES notation for (2,6-dimethylphenoxy)-difluoromethanol?
The canonical SMILES for (2,6-dimethylphenoxy)-difluoromethanol is Cc1cccc(C)c1OC(O)(F)F.
What is the InChIKey of (2,6-dimethylphenoxy)-difluoromethanol?
The InChIKey is JRTLXSBQSLCXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O2/c1-6-4-3-5-7(2)8(6)13-9(10,11)12/h3-5,12H,1-2H3.
What are the key properties of (2,6-dimethylphenoxy)-difluoromethanol?
(2,6-dimethylphenoxy)-difluoromethanol has a molecular weight of 188.17 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenoxy)-difluoromethanol is sourced from PubChem (CID 134547391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).