3-[(4R)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol

C15H13BrFNO2 — CID 104947542

IUPAC3-[(4R)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol
SMILESN[C@@H]1CC(c2cc(O)cc(F)c2)Oc2ccc(Br)cc21
InChIInChI=1S/C15H13BrFNO2/c16-9-1-2-14-12(5-9)13(18)7-15(20-14)8-3-10(17)6-11(19)4-8/h1-6,13,15,19H,7,18H2/t13-,15?/m1/s1
InChIKeyVZCQSNAYJIXAKS-AFYYWNPRSA-N
MW338.18 g/mol
LogP3.82
Rot. Bonds1

About 3-[(4R)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol

3-[(4R)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol (PubChem CID 104947542) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is 3-[(4R)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol.

Molecular Properties

Compound Name3-[(4R)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol
PubChem CID104947542
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Name3-[(4R)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol
SMILESN[C@@H]1CC(c2cc(O)cc(F)c2)Oc2ccc(Br)cc21
InChIInChI=1S/C15H13BrFNO2/c16-9-1-2-14-12(5-9)13(18)7-15(20-14)8-3-10(17)6-11(19)4-8/h1-6,13,15,19H,7,18H2/t13-,15?/m1/s1
InChIKeyVZCQSNAYJIXAKS-AFYYWNPRSA-N
XLogP3.82
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(4R)-4-amino-6-bromo-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

6-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 106534741
3-[(4R)-4-amino-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol
CID 104946265
(4R)-6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947434
3-[6-bromo-4-(methylamino)-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol
CID 114713309
(4S)-6-bromo-2-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947173
(4R)-6-bromo-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947352
(4R)-6-bromo-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947442
4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]phenol
CID 104944205
(4R)-6-bromo-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947539
(4S)-6-bromo-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947237
4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol
CID 104944215
6-bromo-2-(4-bromothiophen-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 112739916

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol?
The IUPAC name of 3-[(4R)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol (CID 104947542) is 3-[(4R)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol.
What is the SMILES notation for 3-[(4R)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol?
The canonical SMILES for 3-[(4R)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol is N[C@@H]1CC(c2cc(O)cc(F)c2)Oc2ccc(Br)cc21.
What is the InChIKey of 3-[(4R)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol?
The InChIKey is VZCQSNAYJIXAKS-AFYYWNPRSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c16-9-1-2-14-12(5-9)13(18)7-15(20-14)8-3-10(17)6-11(19)4-8/h1-6,13,15,19H,7,18H2/t13-,15?/m1/s1.
What are the key properties of 3-[(4R)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol?
3-[(4R)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol has a molecular weight of 338.18 g/mol, XLogP of 3.82, 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-6-bromo-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol is sourced from PubChem (CID 104947542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).