3-chloro-2-fluorophenol

C6H4ClFO — CID 2773712

IUPAC3-chloro-2-fluorophenol
SMILESOc1cccc(Cl)c1F
InChIInChI=1S/C6H4ClFO/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
InChIKeyPCHPYNHSMSAJEU-UHFFFAOYSA-N
MW146.55 g/mol
LogP2.18
Rot. Bonds

About 3-chloro-2-fluorophenol

3-chloro-2-fluorophenol (PubChem CID 2773712) has the molecular formula C6H4ClFO and a molecular weight of 146.55 g/mol. Its IUPAC name is 3-chloro-2-fluorophenol.

Molecular Properties

Compound Name3-chloro-2-fluorophenol
PubChem CID2773712
Molecular FormulaC6H4ClFO
Molecular Weight146.55 g/mol
Exact Mass145.99
IUPAC Name3-chloro-2-fluorophenol
SMILESOc1cccc(Cl)c1F
InChIInChI=1S/C6H4ClFO/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
InChIKeyPCHPYNHSMSAJEU-UHFFFAOYSA-N
XLogP2.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.55
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluorophenol?
The IUPAC name of 3-chloro-2-fluorophenol (CID 2773712) is 3-chloro-2-fluorophenol.
What is the SMILES notation for 3-chloro-2-fluorophenol?
The canonical SMILES for 3-chloro-2-fluorophenol is Oc1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluorophenol?
The InChIKey is PCHPYNHSMSAJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFO/c7-4-2-1-3-5(9)6(4)8/h1-3,9H.
What are the key properties of 3-chloro-2-fluorophenol?
3-chloro-2-fluorophenol has a molecular weight of 146.55 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluorophenol is sourced from PubChem (CID 2773712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).