3-amino-1-[2-fluoro-4-(hydroxymethyl)phenyl]propane-1,2-diol

C10H14FNO3 — CID 170827950

IUPAC3-amino-1-[2-fluoro-4-(hydroxymethyl)phenyl]propane-1,2-diol
SMILESNCC(O)C(O)c1ccc(CO)cc1F
InChIInChI=1S/C10H14FNO3/c11-8-3-6(5-13)1-2-7(8)10(15)9(14)4-12/h1-3,9-10,13-15H,4-5,12H2
InChIKeyRJKWGAIAFGOZKZ-UHFFFAOYSA-N
MW215.22 g/mol
LogP-0.33
Rot. Bonds4

About 3-amino-1-[2-fluoro-4-(hydroxymethyl)phenyl]propane-1,2-diol

3-amino-1-[2-fluoro-4-(hydroxymethyl)phenyl]propane-1,2-diol (PubChem CID 170827950) has the molecular formula C10H14FNO3 and a molecular weight of 215.22 g/mol. Its IUPAC name is 3-amino-1-[2-fluoro-4-(hydroxymethyl)phenyl]propane-1,2-diol.

Molecular Properties

Compound Name3-amino-1-[2-fluoro-4-(hydroxymethyl)phenyl]propane-1,2-diol
PubChem CID170827950
Molecular FormulaC10H14FNO3
Molecular Weight215.22 g/mol
Exact Mass215.10
IUPAC Name3-amino-1-[2-fluoro-4-(hydroxymethyl)phenyl]propane-1,2-diol
SMILESNCC(O)C(O)c1ccc(CO)cc1F
InChIInChI=1S/C10H14FNO3/c11-8-3-6(5-13)1-2-7(8)10(15)9(14)4-12/h1-3,9-10,13-15H,4-5,12H2
InChIKeyRJKWGAIAFGOZKZ-UHFFFAOYSA-N
XLogP-0.33
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-amino-1,2-dihydroxypropyl)-3-fluorophenyl]acetic acid
CID 170828561
1-[2-fluoro-4-(hydroxymethyl)phenyl]-4-(methylamino)butane-1,2-diol
CID 171890128
N-[4-[2-fluoro-4-(hydroxymethyl)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171882960
(3,4-difluorophenyl)methanol
CID 522833
2-[4-(1,2-dihydroxy-3-sulfanylpropyl)-3-fluorophenyl]acetonitrile
CID 170820289
3-amino-1-[4-fluoro-2-(trifluoromethyl)phenyl]propane-1,2-diol
CID 170828543
1-[2-fluoro-5-(hydroxymethyl)phenyl]-4-(methylamino)butane-1,2-diol
CID 171890126
3-(3-amino-1,2-dihydroxypropyl)-4-fluorobenzaldehyde
CID 170827947
1-(4-chloro-2-fluorophenyl)propane-1,2,3-triol
CID 170817442
[3-(1-aminoethyl)-4-fluorophenyl]methanol
CID 55283216
2-[4-(3-acetylsulfanyl-1,2-dihydroxypropyl)-3-fluorophenyl]acetic acid
CID 170822474
3-amino-1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185411

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-fluoro-4-(hydroxymethyl)phenyl]propane-1,2-diol?
The IUPAC name of 3-amino-1-[2-fluoro-4-(hydroxymethyl)phenyl]propane-1,2-diol (CID 170827950) is 3-amino-1-[2-fluoro-4-(hydroxymethyl)phenyl]propane-1,2-diol.
What is the SMILES notation for 3-amino-1-[2-fluoro-4-(hydroxymethyl)phenyl]propane-1,2-diol?
The canonical SMILES for 3-amino-1-[2-fluoro-4-(hydroxymethyl)phenyl]propane-1,2-diol is NCC(O)C(O)c1ccc(CO)cc1F.
What is the InChIKey of 3-amino-1-[2-fluoro-4-(hydroxymethyl)phenyl]propane-1,2-diol?
The InChIKey is RJKWGAIAFGOZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3/c11-8-3-6(5-13)1-2-7(8)10(15)9(14)4-12/h1-3,9-10,13-15H,4-5,12H2.
What are the key properties of 3-amino-1-[2-fluoro-4-(hydroxymethyl)phenyl]propane-1,2-diol?
3-amino-1-[2-fluoro-4-(hydroxymethyl)phenyl]propane-1,2-diol has a molecular weight of 215.22 g/mol, XLogP of -0.33, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-fluoro-4-(hydroxymethyl)phenyl]propane-1,2-diol is sourced from PubChem (CID 170827950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).