4-(1-aminocyclopropyl)-2-chloro-6-fluorophenol

C9H9ClFNO — CID 84776486

IUPAC4-(1-aminocyclopropyl)-2-chloro-6-fluorophenol
SMILESNC1(c2cc(F)c(O)c(Cl)c2)CC1
InChIInChI=1S/C9H9ClFNO/c10-6-3-5(9(12)1-2-9)4-7(11)8(6)13/h3-4,13H,1-2,12H2
InChIKeySHYQOFFZTXRETK-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.13
Rot. Bonds1

About 4-(1-aminocyclopropyl)-2-chloro-6-fluorophenol

4-(1-aminocyclopropyl)-2-chloro-6-fluorophenol (PubChem CID 84776486) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is 4-(1-aminocyclopropyl)-2-chloro-6-fluorophenol.

Molecular Properties

Compound Name4-(1-aminocyclopropyl)-2-chloro-6-fluorophenol
PubChem CID84776486
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name4-(1-aminocyclopropyl)-2-chloro-6-fluorophenol
SMILESNC1(c2cc(F)c(O)c(Cl)c2)CC1
InChIInChI=1S/C9H9ClFNO/c10-6-3-5(9(12)1-2-9)4-7(11)8(6)13/h3-4,13H,1-2,12H2
InChIKeySHYQOFFZTXRETK-UHFFFAOYSA-N
XLogP2.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclopropyl)-2-chloro-6-fluorophenol?
The IUPAC name of 4-(1-aminocyclopropyl)-2-chloro-6-fluorophenol (CID 84776486) is 4-(1-aminocyclopropyl)-2-chloro-6-fluorophenol.
What is the SMILES notation for 4-(1-aminocyclopropyl)-2-chloro-6-fluorophenol?
The canonical SMILES for 4-(1-aminocyclopropyl)-2-chloro-6-fluorophenol is NC1(c2cc(F)c(O)c(Cl)c2)CC1.
What is the InChIKey of 4-(1-aminocyclopropyl)-2-chloro-6-fluorophenol?
The InChIKey is SHYQOFFZTXRETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c10-6-3-5(9(12)1-2-9)4-7(11)8(6)13/h3-4,13H,1-2,12H2.
What are the key properties of 4-(1-aminocyclopropyl)-2-chloro-6-fluorophenol?
4-(1-aminocyclopropyl)-2-chloro-6-fluorophenol has a molecular weight of 201.63 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclopropyl)-2-chloro-6-fluorophenol is sourced from PubChem (CID 84776486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).