4-cyclopropyl-3-fluorophenol

C9H9FO — CID 83131228

IUPAC4-cyclopropyl-3-fluorophenol
SMILESOc1ccc(C2CC2)c(F)c1
InChIInChI=1S/C9H9FO/c10-9-5-7(11)3-4-8(9)6-1-2-6/h3-6,11H,1-2H2
InChIKeyMTSZULWLEJVFLR-UHFFFAOYSA-N
MW152.17 g/mol
LogP2.41
Rot. Bonds1

About 4-cyclopropyl-3-fluorophenol

4-cyclopropyl-3-fluorophenol (PubChem CID 83131228) has the molecular formula C9H9FO and a molecular weight of 152.17 g/mol. Its IUPAC name is 4-cyclopropyl-3-fluorophenol.

Molecular Properties

Compound Name4-cyclopropyl-3-fluorophenol
PubChem CID83131228
Molecular FormulaC9H9FO
Molecular Weight152.17 g/mol
Exact Mass152.06
IUPAC Name4-cyclopropyl-3-fluorophenol
SMILESOc1ccc(C2CC2)c(F)c1
InChIInChI=1S/C9H9FO/c10-9-5-7(11)3-4-8(9)6-1-2-6/h3-6,11H,1-2H2
InChIKeyMTSZULWLEJVFLR-UHFFFAOYSA-N
XLogP2.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-fluorophenol?
The IUPAC name of 4-cyclopropyl-3-fluorophenol (CID 83131228) is 4-cyclopropyl-3-fluorophenol.
What is the SMILES notation for 4-cyclopropyl-3-fluorophenol?
The canonical SMILES for 4-cyclopropyl-3-fluorophenol is Oc1ccc(C2CC2)c(F)c1.
What is the InChIKey of 4-cyclopropyl-3-fluorophenol?
The InChIKey is MTSZULWLEJVFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO/c10-9-5-7(11)3-4-8(9)6-1-2-6/h3-6,11H,1-2H2.
What are the key properties of 4-cyclopropyl-3-fluorophenol?
4-cyclopropyl-3-fluorophenol has a molecular weight of 152.17 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-fluorophenol is sourced from PubChem (CID 83131228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).