2-(1-aminocyclopropyl)-4-chloro-5-fluorophenol

C9H9ClFNO — CID 84776496

IUPAC2-(1-aminocyclopropyl)-4-chloro-5-fluorophenol
SMILESNC1(c2cc(Cl)c(F)cc2O)CC1
InChIInChI=1S/C9H9ClFNO/c10-6-3-5(9(12)1-2-9)8(13)4-7(6)11/h3-4,13H,1-2,12H2
InChIKeyPXBKOUYXXRMLDV-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.13
Rot. Bonds1

About 2-(1-aminocyclopropyl)-4-chloro-5-fluorophenol

2-(1-aminocyclopropyl)-4-chloro-5-fluorophenol (PubChem CID 84776496) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is 2-(1-aminocyclopropyl)-4-chloro-5-fluorophenol.

Molecular Properties

Compound Name2-(1-aminocyclopropyl)-4-chloro-5-fluorophenol
PubChem CID84776496
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name2-(1-aminocyclopropyl)-4-chloro-5-fluorophenol
SMILESNC1(c2cc(Cl)c(F)cc2O)CC1
InChIInChI=1S/C9H9ClFNO/c10-6-3-5(9(12)1-2-9)8(13)4-7(6)11/h3-4,13H,1-2,12H2
InChIKeyPXBKOUYXXRMLDV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-(1-aminocyclopropyl)-2,5-difluorophenol
CID 117280020
1-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropane-1-carbonitrile
CID 84781942
2-(1-aminocyclopentyl)-4-fluoro-5-methylphenol
CID 117298959
2-(1-aminocyclopropyl)-5-chloro-4-methoxyphenol
CID 84783043
1-(4-chloro-5-fluoro-2-methylphenyl)cyclopentan-1-amine
CID 84791905
2-(1-aminocyclobutyl)-5-chlorophenol
CID 82607167
4-(1-aminocyclopropyl)-3-chloro-5-fluorophenol
CID 84776502
4-(1-aminocyclopropyl)-2-chloro-6-fluorophenol
CID 84776486
6-(1-aminocyclopropyl)-2,3,4-trifluorophenol
CID 84777063
2-(1-aminocyclobutyl)-6-chloro-4-fluorophenol
CID 117307321
4-(1-aminocyclopropyl)-2-bromo-6-fluorobenzene-1,3-diol
CID 84806896
2-(1-aminocyclopropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 84785545

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopropyl)-4-chloro-5-fluorophenol?
The IUPAC name of 2-(1-aminocyclopropyl)-4-chloro-5-fluorophenol (CID 84776496) is 2-(1-aminocyclopropyl)-4-chloro-5-fluorophenol.
What is the SMILES notation for 2-(1-aminocyclopropyl)-4-chloro-5-fluorophenol?
The canonical SMILES for 2-(1-aminocyclopropyl)-4-chloro-5-fluorophenol is NC1(c2cc(Cl)c(F)cc2O)CC1.
What is the InChIKey of 2-(1-aminocyclopropyl)-4-chloro-5-fluorophenol?
The InChIKey is PXBKOUYXXRMLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c10-6-3-5(9(12)1-2-9)8(13)4-7(6)11/h3-4,13H,1-2,12H2.
What are the key properties of 2-(1-aminocyclopropyl)-4-chloro-5-fluorophenol?
2-(1-aminocyclopropyl)-4-chloro-5-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 2-(1-aminocyclopropyl)-4-chloro-5-fluorophenol is sourced from PubChem (CID 84776496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).