(4S)-8-fluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride

C10H13ClFNO2 — CID 171252232

IUPAC(4S)-8-fluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCOc1cc(F)c2c(c1)[C@@H](N)CCO2.Cl
InChIInChI=1S/C10H12FNO2.ClH/c1-13-6-4-7-9(12)2-3-14-10(7)8(11)5-6;/h4-5,9H,2-3,12H2,1H3;1H/t9-;/m0./s1
InChIKeyJXDJQTDPYFEYFK-FVGYRXGTSA-N
MW233.67 g/mol
LogP2.04
Rot. Bonds1

About (4S)-8-fluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride

(4S)-8-fluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride (PubChem CID 171252232) has the molecular formula C10H13ClFNO2 and a molecular weight of 233.67 g/mol. Its IUPAC name is (4S)-8-fluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride.

Molecular Properties

Compound Name(4S)-8-fluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride
PubChem CID171252232
Molecular FormulaC10H13ClFNO2
Molecular Weight233.67 g/mol
Exact Mass233.06
IUPAC Name(4S)-8-fluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCOc1cc(F)c2c(c1)[C@@H](N)CCO2.Cl
InChIInChI=1S/C10H12FNO2.ClH/c1-13-6-4-7-9(12)2-3-14-10(7)8(11)5-6;/h4-5,9H,2-3,12H2,1H3;1H/t9-;/m0./s1
InChIKeyJXDJQTDPYFEYFK-FVGYRXGTSA-N
XLogP2.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 103693937
(4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252356
4-amino-8-fluoro-3,4-dihydro-2H-chromen-6-ol
CID 55294990
5-fluoro-7-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417559
6-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine
CID 55293947
(5S)-1-fluoro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79014491
(4S)-6-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252186
(4S)-10-methoxy-3,4-dihydro-2H-benzo[g]chromen-4-amine;hydrochloride
CID 171252130
(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 42220750
(4R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252301
(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

Frequently Asked Questions

What is the IUPAC name of (4S)-8-fluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The IUPAC name of (4S)-8-fluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride (CID 171252232) is (4S)-8-fluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride.
What is the SMILES notation for (4S)-8-fluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The canonical SMILES for (4S)-8-fluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride is COc1cc(F)c2c(c1)[C@@H](N)CCO2.Cl.
What is the InChIKey of (4S)-8-fluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The InChIKey is JXDJQTDPYFEYFK-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H12FNO2.ClH/c1-13-6-4-7-9(12)2-3-14-10(7)8(11)5-6;/h4-5,9H,2-3,12H2,1H3;1H/t9-;/m0./s1.
What are the key properties of (4S)-8-fluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
(4S)-8-fluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride has a molecular weight of 233.67 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-fluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride is sourced from PubChem (CID 171252232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).