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

C10H11F2NO — CID 55274847

IUPAC2-[(R)-amino(cyclopropyl)methyl]-4,5-difluorophenol
SMILESN[C@@H](c1cc(F)c(F)cc1O)C1CC1
InChIInChI=1S/C10H11F2NO/c11-7-3-6(9(14)4-8(7)12)10(13)5-1-2-5/h3-5,10,14H,1-2,13H2/t10-/m1/s1
InChIKeyBIIQJQKTGVFYPO-SNVBAGLBSA-N
MW199.20 g/mol
LogP2.08
Rot. Bonds2

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

2-[(R)-amino(cyclopropyl)methyl]-4,5-difluorophenol (PubChem CID 55274847) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 2-[(R)-amino(cyclopropyl)methyl]-4,5-difluorophenol.

Molecular Properties

Compound Name2-[(R)-amino(cyclopropyl)methyl]-4,5-difluorophenol
PubChem CID55274847
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name2-[(R)-amino(cyclopropyl)methyl]-4,5-difluorophenol
SMILESN[C@@H](c1cc(F)c(F)cc1O)C1CC1
InChIInChI=1S/C10H11F2NO/c11-7-3-6(9(14)4-8(7)12)10(13)5-1-2-5/h3-5,10,14H,1-2,13H2/t10-/m1/s1
InChIKeyBIIQJQKTGVFYPO-SNVBAGLBSA-N
XLogP2.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.08
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

(R)-cyclopropyl-(2,4,5-trifluorophenyl)methanamine;hydrochloride
CID 171209919
4-[(S)-amino(cyclopropyl)methyl]-3-fluorophenol
CID 131064756
3-[amino(cyclopropyl)methyl]-4-fluorophenol
CID 55296615
4-[(R)-amino(cyclopropyl)methyl]benzene-1,3-diol;hydrochloride
CID 171200126
2-[(R)-amino(cyclopropyl)methyl]-4-bromo-6-fluorophenol
CID 130715689
2-[(R)-amino(cyclobutyl)methyl]-5-fluorophenol
CID 131076706
2-[(S)-amino(cyclopropyl)methyl]-4-bromo-6-fluorophenol;hydrochloride
CID 171253387
2-[(R)-amino(cyclopropyl)methyl]-6-fluoro-4-methylphenol;hydrochloride
CID 171257092
2-[(R)-amino(cyclopropyl)methyl]-4-iodophenol
CID 131218158
4-[(R)-amino(cyclopropyl)methyl]-2-fluorophenol
CID 55254203
2-[(R)-amino(cyclopropyl)methyl]phenol;hydrochloride
CID 171200964
2-[(S)-amino(cyclobutyl)methyl]-4-chlorophenol;hydrochloride
CID 171217140

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(cyclopropyl)methyl]-4,5-difluorophenol?
The IUPAC name of 2-[(R)-amino(cyclopropyl)methyl]-4,5-difluorophenol (CID 55274847) is 2-[(R)-amino(cyclopropyl)methyl]-4,5-difluorophenol.
What is the SMILES notation for 2-[(R)-amino(cyclopropyl)methyl]-4,5-difluorophenol?
The canonical SMILES for 2-[(R)-amino(cyclopropyl)methyl]-4,5-difluorophenol is N[C@@H](c1cc(F)c(F)cc1O)C1CC1.
What is the InChIKey of 2-[(R)-amino(cyclopropyl)methyl]-4,5-difluorophenol?
The InChIKey is BIIQJQKTGVFYPO-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H11F2NO/c11-7-3-6(9(14)4-8(7)12)10(13)5-1-2-5/h3-5,10,14H,1-2,13H2/t10-/m1/s1.
What are the key properties of 2-[(R)-amino(cyclopropyl)methyl]-4,5-difluorophenol?
2-[(R)-amino(cyclopropyl)methyl]-4,5-difluorophenol has a molecular weight of 199.20 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino(cyclopropyl)methyl]-4,5-difluorophenol is sourced from PubChem (CID 55274847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).