2-(1-aminocyclopropyl)-3,4-difluorophenol

C9H9F2NO — CID 84769570

IUPAC2-(1-aminocyclopropyl)-3,4-difluorophenol
SMILESNC1(c2c(O)ccc(F)c2F)CC1
InChIInChI=1S/C9H9F2NO/c10-5-1-2-6(13)7(8(5)11)9(12)3-4-9/h1-2,13H,3-4,12H2
InChIKeyQALJOOWFOKBBNJ-UHFFFAOYSA-N
MW185.17 g/mol
LogP1.62
Rot. Bonds1

About 2-(1-aminocyclopropyl)-3,4-difluorophenol

2-(1-aminocyclopropyl)-3,4-difluorophenol (PubChem CID 84769570) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is 2-(1-aminocyclopropyl)-3,4-difluorophenol.

Molecular Properties

Compound Name2-(1-aminocyclopropyl)-3,4-difluorophenol
PubChem CID84769570
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name2-(1-aminocyclopropyl)-3,4-difluorophenol
SMILESNC1(c2c(O)ccc(F)c2F)CC1
InChIInChI=1S/C9H9F2NO/c10-5-1-2-6(13)7(8(5)11)9(12)3-4-9/h1-2,13H,3-4,12H2
InChIKeyQALJOOWFOKBBNJ-UHFFFAOYSA-N
XLogP1.62
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-aminocyclopropyl)-3,4-difluorophenol with MolForge

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

Launch Full Analysis

Related Compounds

1-(2,3,6-trifluorophenyl)cyclopropan-1-amine
CID 83412567
2-(1-aminocyclopentyl)-4-bromo-3-fluorophenol
CID 84810334
3-(1-aminocyclobutyl)-2,4-difluorophenol
CID 117288339
2-(1-aminocyclopropyl)-3-bromo-4-methylphenol
CID 84801516
4-(1-aminocyclopropyl)-3-chloro-5-fluorophenol
CID 84776502
3-(2,3,6-trifluorophenyl)azetidin-3-amine
CID 166608665
2-(1-aminocyclohexyl)-3,4,6-trifluorophenol
CID 117364421
4-(1-aminocyclopropyl)-1,3-dihydro-2-benzofuran-5-ol
CID 84771858
1-(3-chloro-2,4-difluorophenyl)cyclopropan-1-amine
CID 84777571
1-(2-chloro-3,4-difluorophenyl)cyclobutan-1-amine
CID 117310218
4-fluoro-2-(1-hydroxycyclopropyl)-3-methylphenol
CID 117279111
4-(1-aminocyclopentyl)-2-bromo-3,5-difluorophenol
CID 117471497

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopropyl)-3,4-difluorophenol?
The IUPAC name of 2-(1-aminocyclopropyl)-3,4-difluorophenol (CID 84769570) is 2-(1-aminocyclopropyl)-3,4-difluorophenol.
What is the SMILES notation for 2-(1-aminocyclopropyl)-3,4-difluorophenol?
The canonical SMILES for 2-(1-aminocyclopropyl)-3,4-difluorophenol is NC1(c2c(O)ccc(F)c2F)CC1.
What is the InChIKey of 2-(1-aminocyclopropyl)-3,4-difluorophenol?
The InChIKey is QALJOOWFOKBBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c10-5-1-2-6(13)7(8(5)11)9(12)3-4-9/h1-2,13H,3-4,12H2.
What are the key properties of 2-(1-aminocyclopropyl)-3,4-difluorophenol?
2-(1-aminocyclopropyl)-3,4-difluorophenol has a molecular weight of 185.17 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopropyl)-3,4-difluorophenol is sourced from PubChem (CID 84769570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).