5-(aminomethyl)-3-chloro-2-fluorophenol

C7H7ClFNO — CID 84767017

IUPAC5-(aminomethyl)-3-chloro-2-fluorophenol
SMILESNCc1cc(O)c(F)c(Cl)c1
InChIInChI=1S/C7H7ClFNO/c8-5-1-4(3-10)2-6(11)7(5)9/h1-2,11H,3,10H2
InChIKeyMOUFNXGDQGGLFL-UHFFFAOYSA-N
MW175.59 g/mol
LogP1.64
Rot. Bonds1

About 5-(aminomethyl)-3-chloro-2-fluorophenol

5-(aminomethyl)-3-chloro-2-fluorophenol (PubChem CID 84767017) has the molecular formula C7H7ClFNO and a molecular weight of 175.59 g/mol. Its IUPAC name is 5-(aminomethyl)-3-chloro-2-fluorophenol.

Molecular Properties

Compound Name5-(aminomethyl)-3-chloro-2-fluorophenol
PubChem CID84767017
Molecular FormulaC7H7ClFNO
Molecular Weight175.59 g/mol
Exact Mass175.02
IUPAC Name5-(aminomethyl)-3-chloro-2-fluorophenol
SMILESNCc1cc(O)c(F)c(Cl)c1
InChIInChI=1S/C7H7ClFNO/c8-5-1-4(3-10)2-6(11)7(5)9/h1-2,11H,3,10H2
InChIKeyMOUFNXGDQGGLFL-UHFFFAOYSA-N
XLogP1.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.59
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-chloro-2-fluorophenol?
The IUPAC name of 5-(aminomethyl)-3-chloro-2-fluorophenol (CID 84767017) is 5-(aminomethyl)-3-chloro-2-fluorophenol.
What is the SMILES notation for 5-(aminomethyl)-3-chloro-2-fluorophenol?
The canonical SMILES for 5-(aminomethyl)-3-chloro-2-fluorophenol is NCc1cc(O)c(F)c(Cl)c1.
What is the InChIKey of 5-(aminomethyl)-3-chloro-2-fluorophenol?
The InChIKey is MOUFNXGDQGGLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFNO/c8-5-1-4(3-10)2-6(11)7(5)9/h1-2,11H,3,10H2.
What are the key properties of 5-(aminomethyl)-3-chloro-2-fluorophenol?
5-(aminomethyl)-3-chloro-2-fluorophenol has a molecular weight of 175.59 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-chloro-2-fluorophenol is sourced from PubChem (CID 84767017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).