4-[(1-aminocyclopropyl)methyl]-2-fluorobenzene-1,3-diol

C10H12FNO2 — CID 117286707

IUPAC4-[(1-aminocyclopropyl)methyl]-2-fluorobenzene-1,3-diol
SMILESNC1(Cc2ccc(O)c(F)c2O)CC1
InChIInChI=1S/C10H12FNO2/c11-8-7(13)2-1-6(9(8)14)5-10(12)3-4-10/h1-2,13-14H,3-5,12H2
InChIKeyWREMLZDWLKKDFZ-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.27
Rot. Bonds2

About 4-[(1-aminocyclopropyl)methyl]-2-fluorobenzene-1,3-diol

4-[(1-aminocyclopropyl)methyl]-2-fluorobenzene-1,3-diol (PubChem CID 117286707) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 4-[(1-aminocyclopropyl)methyl]-2-fluorobenzene-1,3-diol.

Molecular Properties

Compound Name4-[(1-aminocyclopropyl)methyl]-2-fluorobenzene-1,3-diol
PubChem CID117286707
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name4-[(1-aminocyclopropyl)methyl]-2-fluorobenzene-1,3-diol
SMILESNC1(Cc2ccc(O)c(F)c2O)CC1
InChIInChI=1S/C10H12FNO2/c11-8-7(13)2-1-6(9(8)14)5-10(12)3-4-10/h1-2,13-14H,3-5,12H2
InChIKeyWREMLZDWLKKDFZ-UHFFFAOYSA-N
XLogP1.27
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(1-aminocyclopropyl)methyl]-2-fluorobenzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclopropyl)methyl]-2-fluorobenzene-1,3-diol?
The IUPAC name of 4-[(1-aminocyclopropyl)methyl]-2-fluorobenzene-1,3-diol (CID 117286707) is 4-[(1-aminocyclopropyl)methyl]-2-fluorobenzene-1,3-diol.
What is the SMILES notation for 4-[(1-aminocyclopropyl)methyl]-2-fluorobenzene-1,3-diol?
The canonical SMILES for 4-[(1-aminocyclopropyl)methyl]-2-fluorobenzene-1,3-diol is NC1(Cc2ccc(O)c(F)c2O)CC1.
What is the InChIKey of 4-[(1-aminocyclopropyl)methyl]-2-fluorobenzene-1,3-diol?
The InChIKey is WREMLZDWLKKDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c11-8-7(13)2-1-6(9(8)14)5-10(12)3-4-10/h1-2,13-14H,3-5,12H2.
What are the key properties of 4-[(1-aminocyclopropyl)methyl]-2-fluorobenzene-1,3-diol?
4-[(1-aminocyclopropyl)methyl]-2-fluorobenzene-1,3-diol has a molecular weight of 197.21 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocyclopropyl)methyl]-2-fluorobenzene-1,3-diol is sourced from PubChem (CID 117286707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).