3-(1-aminocyclopropyl)-4-fluorophenol

C9H10FNO — CID 84731672

IUPAC3-(1-aminocyclopropyl)-4-fluorophenol
SMILESNC1(c2cc(O)ccc2F)CC1
InChIInChI=1S/C9H10FNO/c10-8-2-1-6(12)5-7(8)9(11)3-4-9/h1-2,5,12H,3-4,11H2
InChIKeyNKEIJKRSSKNKAL-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.48
Rot. Bonds1

About 3-(1-aminocyclopropyl)-4-fluorophenol

3-(1-aminocyclopropyl)-4-fluorophenol (PubChem CID 84731672) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 3-(1-aminocyclopropyl)-4-fluorophenol.

Molecular Properties

Compound Name3-(1-aminocyclopropyl)-4-fluorophenol
PubChem CID84731672
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name3-(1-aminocyclopropyl)-4-fluorophenol
SMILESNC1(c2cc(O)ccc2F)CC1
InChIInChI=1S/C9H10FNO/c10-8-2-1-6(12)5-7(8)9(11)3-4-9/h1-2,5,12H,3-4,11H2
InChIKeyNKEIJKRSSKNKAL-UHFFFAOYSA-N
XLogP1.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminocyclopropyl)-4-fluorophenol?
The IUPAC name of 3-(1-aminocyclopropyl)-4-fluorophenol (CID 84731672) is 3-(1-aminocyclopropyl)-4-fluorophenol.
What is the SMILES notation for 3-(1-aminocyclopropyl)-4-fluorophenol?
The canonical SMILES for 3-(1-aminocyclopropyl)-4-fluorophenol is NC1(c2cc(O)ccc2F)CC1.
What is the InChIKey of 3-(1-aminocyclopropyl)-4-fluorophenol?
The InChIKey is NKEIJKRSSKNKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c10-8-2-1-6(12)5-7(8)9(11)3-4-9/h1-2,5,12H,3-4,11H2.
What are the key properties of 3-(1-aminocyclopropyl)-4-fluorophenol?
3-(1-aminocyclopropyl)-4-fluorophenol has a molecular weight of 167.18 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminocyclopropyl)-4-fluorophenol is sourced from PubChem (CID 84731672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).