4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]phenol

C15H14FNO2 — CID 104944205

IUPAC4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]phenol
SMILESN[C@H]1CC(c2ccc(O)cc2)Oc2ccc(F)cc21
InChIInChI=1S/C15H14FNO2/c16-10-3-6-14-12(7-10)13(17)8-15(19-14)9-1-4-11(18)5-2-9/h1-7,13,15,18H,8,17H2/t13-,15?/m0/s1
InChIKeyGJYLLBFVKOOXLS-CFMCSPIPSA-N
MW259.28 g/mol
LogP3.05
Rot. Bonds1

About 4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]phenol

4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]phenol (PubChem CID 104944205) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]phenol.

Molecular Properties

Compound Name4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]phenol
PubChem CID104944205
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]phenol
SMILESN[C@H]1CC(c2ccc(O)cc2)Oc2ccc(F)cc21
InChIInChI=1S/C15H14FNO2/c16-10-3-6-14-12(7-10)13(17)8-15(19-14)9-1-4-11(18)5-2-9/h1-7,13,15,18H,8,17H2/t13-,15?/m0/s1
InChIKeyGJYLLBFVKOOXLS-CFMCSPIPSA-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

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Related Compounds

(4R)-6-fluoro-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944427
6-fluoro-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114708524
4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol
CID 104944215
(4R)-2-(3,4-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104944378
(4R)-6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947434
2-(3-chloro-4-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114708584
(4S)-2-(4-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104980311
3-[(4R)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol
CID 104947542
(4S)-2-(4-cyclopropylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947762
6-methyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709682
(4S)-6-bromo-2-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947173
3-[(4R)-4-amino-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol
CID 104946265

Frequently Asked Questions

What is the IUPAC name of 4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]phenol?
The IUPAC name of 4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]phenol (CID 104944205) is 4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]phenol.
What is the SMILES notation for 4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]phenol?
The canonical SMILES for 4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]phenol is N[C@H]1CC(c2ccc(O)cc2)Oc2ccc(F)cc21.
What is the InChIKey of 4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]phenol?
The InChIKey is GJYLLBFVKOOXLS-CFMCSPIPSA-N. The full InChI is InChI=1S/C15H14FNO2/c16-10-3-6-14-12(7-10)13(17)8-15(19-14)9-1-4-11(18)5-2-9/h1-7,13,15,18H,8,17H2/t13-,15?/m0/s1.
What are the key properties of 4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]phenol?
4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]phenol 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 4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]phenol is sourced from PubChem (CID 104944205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).