2-[cyclopropyl(methyl)amino]-4,5-difluorophenol

C10H11F2NO — CID 11298566

IUPAC2-[cyclopropyl(methyl)amino]-4,5-difluorophenol
SMILESCN(c1cc(F)c(F)cc1O)C1CC1
InChIInChI=1S/C10H11F2NO/c1-13(6-2-3-6)9-4-7(11)8(12)5-10(9)14/h4-6,14H,2-3H2,1H3
InChIKeyIEDQFYZKZRAFLW-UHFFFAOYSA-N
MW199.20 g/mol
LogP2.27
Rot. Bonds2

About 2-[cyclopropyl(methyl)amino]-4,5-difluorophenol

2-[cyclopropyl(methyl)amino]-4,5-difluorophenol (PubChem CID 11298566) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 2-[cyclopropyl(methyl)amino]-4,5-difluorophenol.

Molecular Properties

Compound Name2-[cyclopropyl(methyl)amino]-4,5-difluorophenol
PubChem CID11298566
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name2-[cyclopropyl(methyl)amino]-4,5-difluorophenol
SMILESCN(c1cc(F)c(F)cc1O)C1CC1
InChIInChI=1S/C10H11F2NO/c1-13(6-2-3-6)9-4-7(11)8(12)5-10(9)14/h4-6,14H,2-3H2,1H3
InChIKeyIEDQFYZKZRAFLW-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[cyclopropyl(methyl)amino]-4,5-difluorophenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methyl)amino]-4,5-difluorophenol?
The IUPAC name of 2-[cyclopropyl(methyl)amino]-4,5-difluorophenol (CID 11298566) is 2-[cyclopropyl(methyl)amino]-4,5-difluorophenol.
What is the SMILES notation for 2-[cyclopropyl(methyl)amino]-4,5-difluorophenol?
The canonical SMILES for 2-[cyclopropyl(methyl)amino]-4,5-difluorophenol is CN(c1cc(F)c(F)cc1O)C1CC1.
What is the InChIKey of 2-[cyclopropyl(methyl)amino]-4,5-difluorophenol?
The InChIKey is IEDQFYZKZRAFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c1-13(6-2-3-6)9-4-7(11)8(12)5-10(9)14/h4-6,14H,2-3H2,1H3.
What are the key properties of 2-[cyclopropyl(methyl)amino]-4,5-difluorophenol?
2-[cyclopropyl(methyl)amino]-4,5-difluorophenol has a molecular weight of 199.20 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methyl)amino]-4,5-difluorophenol is sourced from PubChem (CID 11298566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).