3-(1-aminocyclopropyl)-2-fluoro-5-methoxyphenol

C10H12FNO2 — CID 117286770

IUPAC3-(1-aminocyclopropyl)-2-fluoro-5-methoxyphenol
SMILESCOc1cc(O)c(F)c(C2(N)CC2)c1
InChIInChI=1S/C10H12FNO2/c1-14-6-4-7(10(12)2-3-10)9(11)8(13)5-6/h4-5,13H,2-3,12H2,1H3
InChIKeyMJIREPHWZMQHGX-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.49
Rot. Bonds2

About 3-(1-aminocyclopropyl)-2-fluoro-5-methoxyphenol

3-(1-aminocyclopropyl)-2-fluoro-5-methoxyphenol (PubChem CID 117286770) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 3-(1-aminocyclopropyl)-2-fluoro-5-methoxyphenol.

Molecular Properties

Compound Name3-(1-aminocyclopropyl)-2-fluoro-5-methoxyphenol
PubChem CID117286770
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name3-(1-aminocyclopropyl)-2-fluoro-5-methoxyphenol
SMILESCOc1cc(O)c(F)c(C2(N)CC2)c1
InChIInChI=1S/C10H12FNO2/c1-14-6-4-7(10(12)2-3-10)9(11)8(13)5-6/h4-5,13H,2-3,12H2,1H3
InChIKeyMJIREPHWZMQHGX-UHFFFAOYSA-N
XLogP1.49
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminocyclopropyl)-2-fluoro-5-methoxyphenol?
The IUPAC name of 3-(1-aminocyclopropyl)-2-fluoro-5-methoxyphenol (CID 117286770) is 3-(1-aminocyclopropyl)-2-fluoro-5-methoxyphenol.
What is the SMILES notation for 3-(1-aminocyclopropyl)-2-fluoro-5-methoxyphenol?
The canonical SMILES for 3-(1-aminocyclopropyl)-2-fluoro-5-methoxyphenol is COc1cc(O)c(F)c(C2(N)CC2)c1.
What is the InChIKey of 3-(1-aminocyclopropyl)-2-fluoro-5-methoxyphenol?
The InChIKey is MJIREPHWZMQHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-14-6-4-7(10(12)2-3-10)9(11)8(13)5-6/h4-5,13H,2-3,12H2,1H3.
What are the key properties of 3-(1-aminocyclopropyl)-2-fluoro-5-methoxyphenol?
3-(1-aminocyclopropyl)-2-fluoro-5-methoxyphenol has a molecular weight of 197.21 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminocyclopropyl)-2-fluoro-5-methoxyphenol is sourced from PubChem (CID 117286770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).