(4S)-4-amino-5-fluoro-3,4-dihydro-2H-chromen-6-ol

C9H10FNO2 — CID 130611343

IUPAC(4S)-4-amino-5-fluoro-3,4-dihydro-2H-chromen-6-ol
SMILESN[C@H]1CCOc2ccc(O)c(F)c21
InChIInChI=1S/C9H10FNO2/c10-9-6(12)1-2-7-8(9)5(11)3-4-13-7/h1-2,5,12H,3-4,11H2/t5-/m0/s1
InChIKeyIZTLGZCPFIETOG-YFKPBYRVSA-N
MW183.18 g/mol
LogP1.31
Rot. Bonds

About (4S)-4-amino-5-fluoro-3,4-dihydro-2H-chromen-6-ol

(4S)-4-amino-5-fluoro-3,4-dihydro-2H-chromen-6-ol (PubChem CID 130611343) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is (4S)-4-amino-5-fluoro-3,4-dihydro-2H-chromen-6-ol.

Molecular Properties

Compound Name(4S)-4-amino-5-fluoro-3,4-dihydro-2H-chromen-6-ol
PubChem CID130611343
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name(4S)-4-amino-5-fluoro-3,4-dihydro-2H-chromen-6-ol
SMILESN[C@H]1CCOc2ccc(O)c(F)c21
InChIInChI=1S/C9H10FNO2/c10-9-6(12)1-2-7-8(9)5(11)3-4-13-7/h1-2,5,12H,3-4,11H2/t5-/m0/s1
InChIKeyIZTLGZCPFIETOG-YFKPBYRVSA-N
XLogP1.31
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-amino-5-iodo-3,4-dihydro-2H-chromen-6-ol
CID 131076126
(4R)-4-amino-5-ethyl-3,4-dihydro-2H-chromen-6-ol
CID 130699791
(4R)-6-fluoro-5-iodo-3,4-dihydro-2H-chromen-4-amine
CID 130779709
(4S)-5,6,7-trifluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252159
(4S)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-5-ol
CID 130642446
(3S)-4-fluoro-5-iodo-2,3-dihydro-1-benzofuran-3-amine
CID 130722439
5,8-difluoro-3,4-dihydro-2H-chromen-4-amine
CID 59704967
(4S)-4-amino-5-methoxy-3,4-dihydro-2H-chromen-8-ol
CID 130706327
3-amino-7-fluoro-2,3-dihydro-1-benzofuran-6-ol
CID 55292297
(4R)-5,7-dibromo-3,4-dihydro-2H-chromen-4-amine
CID 72942879
(3S)-3,4-dimethyl-1-(1-phenoxypropan-2-yl)pyrrolidine;5-fluoro-4-methyl-3,4-dihydro-2H-chromen-6-ol;phenol
CID 142952822
(4R)-4,6-diamino-3,4-dihydro-2H-chromen-7-ol
CID 131107943

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-fluoro-3,4-dihydro-2H-chromen-6-ol?
The IUPAC name of (4S)-4-amino-5-fluoro-3,4-dihydro-2H-chromen-6-ol (CID 130611343) is (4S)-4-amino-5-fluoro-3,4-dihydro-2H-chromen-6-ol.
What is the SMILES notation for (4S)-4-amino-5-fluoro-3,4-dihydro-2H-chromen-6-ol?
The canonical SMILES for (4S)-4-amino-5-fluoro-3,4-dihydro-2H-chromen-6-ol is N[C@H]1CCOc2ccc(O)c(F)c21.
What is the InChIKey of (4S)-4-amino-5-fluoro-3,4-dihydro-2H-chromen-6-ol?
The InChIKey is IZTLGZCPFIETOG-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H10FNO2/c10-9-6(12)1-2-7-8(9)5(11)3-4-13-7/h1-2,5,12H,3-4,11H2/t5-/m0/s1.
What are the key properties of (4S)-4-amino-5-fluoro-3,4-dihydro-2H-chromen-6-ol?
(4S)-4-amino-5-fluoro-3,4-dihydro-2H-chromen-6-ol has a molecular weight of 183.18 g/mol, XLogP of 1.31, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-fluoro-3,4-dihydro-2H-chromen-6-ol is sourced from PubChem (CID 130611343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).