4-(fluoromethyl)benzene-1,3-diol

C7H7FO2 — CID 91883667

IUPAC4-(fluoromethyl)benzene-1,3-diol
SMILESOc1ccc(CF)c(O)c1
InChIInChI=1S/C7H7FO2/c8-4-5-1-2-6(9)3-7(5)10/h1-3,9-10H,4H2
InChIKeyIKLMLRMPBAOJMD-UHFFFAOYSA-N
MW142.13 g/mol
LogP1.57
Rot. Bonds1

About 4-(fluoromethyl)benzene-1,3-diol

4-(fluoromethyl)benzene-1,3-diol (PubChem CID 91883667) has the molecular formula C7H7FO2 and a molecular weight of 142.13 g/mol. Its IUPAC name is 4-(fluoromethyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(fluoromethyl)benzene-1,3-diol
PubChem CID91883667
Molecular FormulaC7H7FO2
Molecular Weight142.13 g/mol
Exact Mass142.04
IUPAC Name4-(fluoromethyl)benzene-1,3-diol
SMILESOc1ccc(CF)c(O)c1
InChIInChI=1S/C7H7FO2/c8-4-5-1-2-6(9)3-7(5)10/h1-3,9-10H,4H2
InChIKeyIKLMLRMPBAOJMD-UHFFFAOYSA-N
XLogP1.57
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.13
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)benzene-1,3-diol?
The IUPAC name of 4-(fluoromethyl)benzene-1,3-diol (CID 91883667) is 4-(fluoromethyl)benzene-1,3-diol.
What is the SMILES notation for 4-(fluoromethyl)benzene-1,3-diol?
The canonical SMILES for 4-(fluoromethyl)benzene-1,3-diol is Oc1ccc(CF)c(O)c1.
What is the InChIKey of 4-(fluoromethyl)benzene-1,3-diol?
The InChIKey is IKLMLRMPBAOJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO2/c8-4-5-1-2-6(9)3-7(5)10/h1-3,9-10H,4H2.
What are the key properties of 4-(fluoromethyl)benzene-1,3-diol?
4-(fluoromethyl)benzene-1,3-diol has a molecular weight of 142.13 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)benzene-1,3-diol is sourced from PubChem (CID 91883667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).