3-[(1R)-1-aminoprop-2-enyl]-2,5-difluoro-4-methylphenol

C10H11F2NO — CID 131122898

IUPAC3-[(1R)-1-aminoprop-2-enyl]-2,5-difluoro-4-methylphenol
SMILESC=C[C@@H](N)c1c(C)c(F)cc(O)c1F
InChIInChI=1S/C10H11F2NO/c1-3-7(13)9-5(2)6(11)4-8(14)10(9)12/h3-4,7,14H,1,13H2,2H3/t7-/m1/s1
InChIKeyUXCKRXNHARPEFO-SSDOTTSWSA-N
MW199.20 g/mol
LogP2.16
Rot. Bonds2

About 3-[(1R)-1-aminoprop-2-enyl]-2,5-difluoro-4-methylphenol

3-[(1R)-1-aminoprop-2-enyl]-2,5-difluoro-4-methylphenol (PubChem CID 131122898) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 3-[(1R)-1-aminoprop-2-enyl]-2,5-difluoro-4-methylphenol.

Molecular Properties

Compound Name3-[(1R)-1-aminoprop-2-enyl]-2,5-difluoro-4-methylphenol
PubChem CID131122898
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name3-[(1R)-1-aminoprop-2-enyl]-2,5-difluoro-4-methylphenol
SMILESC=C[C@@H](N)c1c(C)c(F)cc(O)c1F
InChIInChI=1S/C10H11F2NO/c1-3-7(13)9-5(2)6(11)4-8(14)10(9)12/h3-4,7,14H,1,13H2,2H3/t7-/m1/s1
InChIKeyUXCKRXNHARPEFO-SSDOTTSWSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(3,5-difluoro-2-methylphenyl)prop-2-en-1-amine
CID 55291930
1-(3,5-difluoro-2-methylphenyl)prop-2-en-1-amine
CID 55283662
2-[(1S)-1-aminoprop-2-enyl]-6-fluoro-3-methylphenol
CID 130692924
4-[(1R)-1-aminoprop-2-enyl]-2,5-dimethylphenol
CID 130612517
(1S)-1-(4-bromo-2,6-difluorophenyl)prop-2-en-1-amine
CID 130898055
2-[(1S)-1-aminoprop-2-enyl]-6-fluoro-4-methylphenol;hydrochloride
CID 171253734
1-(2,4,6-trimethylphenyl)prop-2-en-1-amine
CID 55282598
6-amino-2-[(1S)-1-aminoprop-2-enyl]-3-fluorophenol
CID 130722314
2-[(1S)-1-aminobut-3-enyl]-4-fluoro-3-methylphenol
CID 55269488
(1S)-1-(3,4,5-trifluorophenyl)prop-2-en-1-amine;hydrochloride
CID 171225393
(1R)-1-(2,6-difluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride
CID 171215724
2-[(1S)-1-aminobut-3-enyl]-3,4,5-trifluorophenol;hydrochloride
CID 171254368

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-aminoprop-2-enyl]-2,5-difluoro-4-methylphenol?
The IUPAC name of 3-[(1R)-1-aminoprop-2-enyl]-2,5-difluoro-4-methylphenol (CID 131122898) is 3-[(1R)-1-aminoprop-2-enyl]-2,5-difluoro-4-methylphenol.
What is the SMILES notation for 3-[(1R)-1-aminoprop-2-enyl]-2,5-difluoro-4-methylphenol?
The canonical SMILES for 3-[(1R)-1-aminoprop-2-enyl]-2,5-difluoro-4-methylphenol is C=C[C@@H](N)c1c(C)c(F)cc(O)c1F.
What is the InChIKey of 3-[(1R)-1-aminoprop-2-enyl]-2,5-difluoro-4-methylphenol?
The InChIKey is UXCKRXNHARPEFO-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11F2NO/c1-3-7(13)9-5(2)6(11)4-8(14)10(9)12/h3-4,7,14H,1,13H2,2H3/t7-/m1/s1.
What are the key properties of 3-[(1R)-1-aminoprop-2-enyl]-2,5-difluoro-4-methylphenol?
3-[(1R)-1-aminoprop-2-enyl]-2,5-difluoro-4-methylphenol has a molecular weight of 199.20 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-aminoprop-2-enyl]-2,5-difluoro-4-methylphenol is sourced from PubChem (CID 131122898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).