[3-(aminomethyl)-6-chloro-2-fluorophenyl]methanol

C8H9ClFNO — CID 90223896

IUPAC[3-(aminomethyl)-6-chloro-2-fluorophenyl]methanol
SMILESNCc1ccc(Cl)c(CO)c1F
InChIInChI=1S/C8H9ClFNO/c9-7-2-1-5(3-11)8(10)6(7)4-12/h1-2,12H,3-4,11H2
InChIKeyMYAQRFLUPLZOFE-UHFFFAOYSA-N
MW189.62 g/mol
LogP1.43
Rot. Bonds2

About [3-(aminomethyl)-6-chloro-2-fluorophenyl]methanol

[3-(aminomethyl)-6-chloro-2-fluorophenyl]methanol (PubChem CID 90223896) has the molecular formula C8H9ClFNO and a molecular weight of 189.62 g/mol. Its IUPAC name is [3-(aminomethyl)-6-chloro-2-fluorophenyl]methanol.

Molecular Properties

Compound Name[3-(aminomethyl)-6-chloro-2-fluorophenyl]methanol
PubChem CID90223896
Molecular FormulaC8H9ClFNO
Molecular Weight189.62 g/mol
Exact Mass189.04
IUPAC Name[3-(aminomethyl)-6-chloro-2-fluorophenyl]methanol
SMILESNCc1ccc(Cl)c(CO)c1F
InChIInChI=1S/C8H9ClFNO/c9-7-2-1-5(3-11)8(10)6(7)4-12/h1-2,12H,3-4,11H2
InChIKeyMYAQRFLUPLZOFE-UHFFFAOYSA-N
XLogP1.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.62
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-6-chloro-2-fluorophenyl]methanol?
The IUPAC name of [3-(aminomethyl)-6-chloro-2-fluorophenyl]methanol (CID 90223896) is [3-(aminomethyl)-6-chloro-2-fluorophenyl]methanol.
What is the SMILES notation for [3-(aminomethyl)-6-chloro-2-fluorophenyl]methanol?
The canonical SMILES for [3-(aminomethyl)-6-chloro-2-fluorophenyl]methanol is NCc1ccc(Cl)c(CO)c1F.
What is the InChIKey of [3-(aminomethyl)-6-chloro-2-fluorophenyl]methanol?
The InChIKey is MYAQRFLUPLZOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO/c9-7-2-1-5(3-11)8(10)6(7)4-12/h1-2,12H,3-4,11H2.
What are the key properties of [3-(aminomethyl)-6-chloro-2-fluorophenyl]methanol?
[3-(aminomethyl)-6-chloro-2-fluorophenyl]methanol has a molecular weight of 189.62 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-6-chloro-2-fluorophenyl]methanol is sourced from PubChem (CID 90223896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).