4-[(1R)-2-amino-1-hydroxyethyl]-3-fluorophenol

C8H10FNO2 — CID 96739965

IUPAC4-[(1R)-2-amino-1-hydroxyethyl]-3-fluorophenol
SMILESNC[C@H](O)c1ccc(O)cc1F
InChIInChI=1S/C8H10FNO2/c9-7-3-5(11)1-2-6(7)8(12)4-10/h1-3,8,11-12H,4,10H2/t8-/m0/s1
InChIKeyZFFIVYWPTUSVMA-QMMMGPOBSA-N
MW171.17 g/mol
LogP0.52
Rot. Bonds2

About 4-[(1R)-2-amino-1-hydroxyethyl]-3-fluorophenol

4-[(1R)-2-amino-1-hydroxyethyl]-3-fluorophenol (PubChem CID 96739965) has the molecular formula C8H10FNO2 and a molecular weight of 171.17 g/mol. Its IUPAC name is 4-[(1R)-2-amino-1-hydroxyethyl]-3-fluorophenol.

Molecular Properties

Compound Name4-[(1R)-2-amino-1-hydroxyethyl]-3-fluorophenol
PubChem CID96739965
Molecular FormulaC8H10FNO2
Molecular Weight171.17 g/mol
Exact Mass171.07
IUPAC Name4-[(1R)-2-amino-1-hydroxyethyl]-3-fluorophenol
SMILESNC[C@H](O)c1ccc(O)cc1F
InChIInChI=1S/C8H10FNO2/c9-7-3-5(11)1-2-6(7)8(12)4-10/h1-3,8,11-12H,4,10H2/t8-/m0/s1
InChIKeyZFFIVYWPTUSVMA-QMMMGPOBSA-N
XLogP0.52
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-2-amino-1-hydroxyethyl]-3-fluorophenol?
The IUPAC name of 4-[(1R)-2-amino-1-hydroxyethyl]-3-fluorophenol (CID 96739965) is 4-[(1R)-2-amino-1-hydroxyethyl]-3-fluorophenol.
What is the SMILES notation for 4-[(1R)-2-amino-1-hydroxyethyl]-3-fluorophenol?
The canonical SMILES for 4-[(1R)-2-amino-1-hydroxyethyl]-3-fluorophenol is NC[C@H](O)c1ccc(O)cc1F.
What is the InChIKey of 4-[(1R)-2-amino-1-hydroxyethyl]-3-fluorophenol?
The InChIKey is ZFFIVYWPTUSVMA-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H10FNO2/c9-7-3-5(11)1-2-6(7)8(12)4-10/h1-3,8,11-12H,4,10H2/t8-/m0/s1.
What are the key properties of 4-[(1R)-2-amino-1-hydroxyethyl]-3-fluorophenol?
4-[(1R)-2-amino-1-hydroxyethyl]-3-fluorophenol has a molecular weight of 171.17 g/mol, XLogP of 0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-2-amino-1-hydroxyethyl]-3-fluorophenol is sourced from PubChem (CID 96739965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).