(3R,4S)-3-amino-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol

C9H9F2NO2 — CID 99879063

IUPAC(3R,4S)-3-amino-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol
SMILESN[C@@H]1COc2c(F)cc(F)cc2[C@@H]1O
InChIInChI=1S/C9H9F2NO2/c10-4-1-5-8(13)7(12)3-14-9(5)6(11)2-4/h1-2,7-8,13H,3,12H2/t7-,8+/m1/s1
InChIKeyVVGXPVTZHDXFRP-SFYZADRCSA-N
MW201.17 g/mol
LogP0.72
Rot. Bonds

About (3R,4S)-3-amino-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol

(3R,4S)-3-amino-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 99879063) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is (3R,4S)-3-amino-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(3R,4S)-3-amino-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol
PubChem CID99879063
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name(3R,4S)-3-amino-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol
SMILESN[C@@H]1COc2c(F)cc(F)cc2[C@@H]1O
InChIInChI=1S/C9H9F2NO2/c10-4-1-5-8(13)7(12)3-14-9(5)6(11)2-4/h1-2,7-8,13H,3,12H2/t7-,8+/m1/s1
InChIKeyVVGXPVTZHDXFRP-SFYZADRCSA-N
XLogP0.72
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-3-amino-6,8-dichloro-3,4-dihydro-2H-chromen-4-ol
CID 99909432
(3S,4S)-4-amino-6-fluoro-8-methyl-3,4-dihydro-2H-chromen-3-ol
CID 67237409
(5S,6R)-6-amino-1,3-difluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 51601053
1-amino-4,6-difluoro-2,3-dihydro-1H-inden-2-ol
CID 45043200
5,7-difluoro-2-propyl-2,3-dihydro-1-benzofuran-3-ol
CID 83047450
4-[2-(chloroamino)ethyl]-3-[(3S,4S)-6,8-difluoro-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-1H-imidazole-2-thione
CID 89076371
(1R,2S)-2-amino-5,7-difluoro-2,3-dihydro-1H-inden-1-ol
CID 51600803
[(3S)-3-(ethoxycarbonylamino)-6,8-difluoro-3,4-dihydro-2H-chromen-4-yl] 2,2,2-trifluoroacetate
CID 70856877
4-amino-8-fluoro-3,4-dihydro-2H-chromen-6-ol
CID 55294990
(3S)-6,8-difluoro-3-methyl-2,3-dihydrochromen-4-one
CID 59318441
2-amino-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol;hydrochloride
CID 71432297
4,6-difluoro-2-methyl-2,3-dihydro-1H-inden-1-ol
CID 79726126

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-amino-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (3R,4S)-3-amino-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol (CID 99879063) is (3R,4S)-3-amino-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (3R,4S)-3-amino-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (3R,4S)-3-amino-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol is N[C@@H]1COc2c(F)cc(F)cc2[C@@H]1O.
What is the InChIKey of (3R,4S)-3-amino-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is VVGXPVTZHDXFRP-SFYZADRCSA-N. The full InChI is InChI=1S/C9H9F2NO2/c10-4-1-5-8(13)7(12)3-14-9(5)6(11)2-4/h1-2,7-8,13H,3,12H2/t7-,8+/m1/s1.
What are the key properties of (3R,4S)-3-amino-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol?
(3R,4S)-3-amino-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 201.17 g/mol, XLogP of 0.72, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-amino-6,8-difluoro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 99879063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).