4-amino-8-fluoro-3,4-dihydro-2H-chromen-6-ol

C9H10FNO2 — CID 55294990

IUPAC4-amino-8-fluoro-3,4-dihydro-2H-chromen-6-ol
SMILESNC1CCOc2c(F)cc(O)cc21
InChIInChI=1S/C9H10FNO2/c10-7-4-5(12)3-6-8(11)1-2-13-9(6)7/h3-4,8,12H,1-2,11H2
InChIKeyBRQMPJXVWDEJBK-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.31
Rot. Bonds

About 4-amino-8-fluoro-3,4-dihydro-2H-chromen-6-ol

4-amino-8-fluoro-3,4-dihydro-2H-chromen-6-ol (PubChem CID 55294990) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 4-amino-8-fluoro-3,4-dihydro-2H-chromen-6-ol.

Molecular Properties

Compound Name4-amino-8-fluoro-3,4-dihydro-2H-chromen-6-ol
PubChem CID55294990
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name4-amino-8-fluoro-3,4-dihydro-2H-chromen-6-ol
SMILESNC1CCOc2c(F)cc(O)cc21
InChIInChI=1S/C9H10FNO2/c10-7-4-5(12)3-6-8(11)1-2-13-9(6)7/h3-4,8,12H,1-2,11H2
InChIKeyBRQMPJXVWDEJBK-UHFFFAOYSA-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

(4S)-8-fluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252232
6-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine
CID 55293947
(4S)-6-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252186
(4R)-4-amino-6-fluoro-3,4-dihydro-2H-chromene-8-carboxylic acid;hydrochloride
CID 171252439
(4R)-7-fluoro-3,4-dihydro-2H-chromene-4,8-diamine
CID 131161469
(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 42220750
(4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252356
(4R)-6,8-dibromo-3,4-dihydro-2H-chromen-4-amine
CID 67303952
5,8-difluoro-3,4-dihydro-2H-chromen-4-amine
CID 59704967
(4S)-8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine
CID 55292280
8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine
CID 55294993
(4S)-4-amino-3,4-dihydro-2H-chromen-7-ol;hydrochloride
CID 171252096

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-fluoro-3,4-dihydro-2H-chromen-6-ol?
The IUPAC name of 4-amino-8-fluoro-3,4-dihydro-2H-chromen-6-ol (CID 55294990) is 4-amino-8-fluoro-3,4-dihydro-2H-chromen-6-ol.
What is the SMILES notation for 4-amino-8-fluoro-3,4-dihydro-2H-chromen-6-ol?
The canonical SMILES for 4-amino-8-fluoro-3,4-dihydro-2H-chromen-6-ol is NC1CCOc2c(F)cc(O)cc21.
What is the InChIKey of 4-amino-8-fluoro-3,4-dihydro-2H-chromen-6-ol?
The InChIKey is BRQMPJXVWDEJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c10-7-4-5(12)3-6-8(11)1-2-13-9(6)7/h3-4,8,12H,1-2,11H2.
What are the key properties of 4-amino-8-fluoro-3,4-dihydro-2H-chromen-6-ol?
4-amino-8-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 4-amino-8-fluoro-3,4-dihydro-2H-chromen-6-ol is sourced from PubChem (CID 55294990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).