2,3-difluoro-4-(hydroxymethyl)phenol

C7H6F2O2 — CID 67042893

IUPAC2,3-difluoro-4-(hydroxymethyl)phenol
SMILESOCc1ccc(O)c(F)c1F
InChIInChI=1S/C7H6F2O2/c8-6-4(3-10)1-2-5(11)7(6)9/h1-2,10-11H,3H2
InChIKeyNLVPCNYVOUJNDO-UHFFFAOYSA-N
MW160.12 g/mol
LogP1.16
Rot. Bonds1

About 2,3-difluoro-4-(hydroxymethyl)phenol

2,3-difluoro-4-(hydroxymethyl)phenol (PubChem CID 67042893) has the molecular formula C7H6F2O2 and a molecular weight of 160.12 g/mol. Its IUPAC name is 2,3-difluoro-4-(hydroxymethyl)phenol.

Molecular Properties

Compound Name2,3-difluoro-4-(hydroxymethyl)phenol
PubChem CID67042893
Molecular FormulaC7H6F2O2
Molecular Weight160.12 g/mol
Exact Mass160.03
IUPAC Name2,3-difluoro-4-(hydroxymethyl)phenol
SMILESOCc1ccc(O)c(F)c1F
InChIInChI=1S/C7H6F2O2/c8-6-4(3-10)1-2-5(11)7(6)9/h1-2,10-11H,3H2
InChIKeyNLVPCNYVOUJNDO-UHFFFAOYSA-N
XLogP1.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-(hydroxymethyl)phenol?
The IUPAC name of 2,3-difluoro-4-(hydroxymethyl)phenol (CID 67042893) is 2,3-difluoro-4-(hydroxymethyl)phenol.
What is the SMILES notation for 2,3-difluoro-4-(hydroxymethyl)phenol?
The canonical SMILES for 2,3-difluoro-4-(hydroxymethyl)phenol is OCc1ccc(O)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-(hydroxymethyl)phenol?
The InChIKey is NLVPCNYVOUJNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2O2/c8-6-4(3-10)1-2-5(11)7(6)9/h1-2,10-11H,3H2.
What are the key properties of 2,3-difluoro-4-(hydroxymethyl)phenol?
2,3-difluoro-4-(hydroxymethyl)phenol has a molecular weight of 160.12 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-(hydroxymethyl)phenol is sourced from PubChem (CID 67042893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).