3-[(4R)-4-amino-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol

C15H14FNO2 — CID 104946265

IUPAC3-[(4R)-4-amino-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol
SMILESN[C@@H]1CC(c2cc(O)cc(F)c2)Oc2ccccc21
InChIInChI=1S/C15H14FNO2/c16-10-5-9(6-11(18)7-10)15-8-13(17)12-3-1-2-4-14(12)19-15/h1-7,13,15,18H,8,17H2/t13-,15?/m1/s1
InChIKeyQRVSCPWUQRUVFC-AFYYWNPRSA-N
MW259.28 g/mol
LogP3.05
Rot. Bonds1

About 3-[(4R)-4-amino-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol

3-[(4R)-4-amino-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol (PubChem CID 104946265) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 3-[(4R)-4-amino-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol.

Molecular Properties

Compound Name3-[(4R)-4-amino-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol
PubChem CID104946265
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name3-[(4R)-4-amino-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol
SMILESN[C@@H]1CC(c2cc(O)cc(F)c2)Oc2ccccc21
InChIInChI=1S/C15H14FNO2/c16-10-5-9(6-11(18)7-10)15-8-13(17)12-3-1-2-4-14(12)19-15/h1-7,13,15,18H,8,17H2/t13-,15?/m1/s1
InChIKeyQRVSCPWUQRUVFC-AFYYWNPRSA-N
XLogP3.05
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(4R)-4-amino-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol 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

3-[(4R)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol
CID 104947542
2-(3,5-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 106534742
6-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 106534741
4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]phenol
CID 104944205
(4R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946217
4-[(4S)-4-amino-7-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol
CID 104947690
4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol
CID 104944215
(4S)-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945818
(4S)-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945853
3-[6-bromo-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol
CID 114713309
2-[4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
CID 114709442
(4R)-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946116

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-4-amino-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol?
The IUPAC name of 3-[(4R)-4-amino-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol (CID 104946265) is 3-[(4R)-4-amino-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol.
What is the SMILES notation for 3-[(4R)-4-amino-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol?
The canonical SMILES for 3-[(4R)-4-amino-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol is N[C@@H]1CC(c2cc(O)cc(F)c2)Oc2ccccc21.
What is the InChIKey of 3-[(4R)-4-amino-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol?
The InChIKey is QRVSCPWUQRUVFC-AFYYWNPRSA-N. The full InChI is InChI=1S/C15H14FNO2/c16-10-5-9(6-11(18)7-10)15-8-13(17)12-3-1-2-4-14(12)19-15/h1-7,13,15,18H,8,17H2/t13-,15?/m1/s1.
What are the key properties of 3-[(4R)-4-amino-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol?
3-[(4R)-4-amino-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol has a molecular weight of 259.28 g/mol, XLogP of 3.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-4-amino-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol is sourced from PubChem (CID 104946265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).