4-(aminomethyl)-2-fluorophenol

C7H8FNO — CID 43657610

IUPAC4-(aminomethyl)-2-fluorophenol
SMILESNCc1ccc(O)c(F)c1
InChIInChI=1S/C7H8FNO/c8-6-3-5(4-9)1-2-7(6)10/h1-3,10H,4,9H2
InChIKeyIYXYEJVZFHQIHQ-UHFFFAOYSA-N
MW141.14 g/mol
LogP0.99
Rot. Bonds1

About 4-(aminomethyl)-2-fluorophenol

4-(aminomethyl)-2-fluorophenol (PubChem CID 43657610) has the molecular formula C7H8FNO and a molecular weight of 141.14 g/mol. Its IUPAC name is 4-(aminomethyl)-2-fluorophenol.

Molecular Properties

Compound Name4-(aminomethyl)-2-fluorophenol
PubChem CID43657610
Molecular FormulaC7H8FNO
Molecular Weight141.14 g/mol
Exact Mass141.06
IUPAC Name4-(aminomethyl)-2-fluorophenol
SMILESNCc1ccc(O)c(F)c1
InChIInChI=1S/C7H8FNO/c8-6-3-5(4-9)1-2-7(6)10/h1-3,10H,4,9H2
InChIKeyIYXYEJVZFHQIHQ-UHFFFAOYSA-N
XLogP0.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-fluorophenol?
The IUPAC name of 4-(aminomethyl)-2-fluorophenol (CID 43657610) is 4-(aminomethyl)-2-fluorophenol.
What is the SMILES notation for 4-(aminomethyl)-2-fluorophenol?
The canonical SMILES for 4-(aminomethyl)-2-fluorophenol is NCc1ccc(O)c(F)c1.
What is the InChIKey of 4-(aminomethyl)-2-fluorophenol?
The InChIKey is IYXYEJVZFHQIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO/c8-6-3-5(4-9)1-2-7(6)10/h1-3,10H,4,9H2.
What are the key properties of 4-(aminomethyl)-2-fluorophenol?
4-(aminomethyl)-2-fluorophenol has a molecular weight of 141.14 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-fluorophenol is sourced from PubChem (CID 43657610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).