(4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride

C10H12ClF2NO2 — CID 171252356

IUPAC(4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCOc1cc2c(c(F)c1F)OCC[C@H]2N.Cl
InChIInChI=1S/C10H11F2NO2.ClH/c1-14-7-4-5-6(13)2-3-15-10(5)9(12)8(7)11;/h4,6H,2-3,13H2,1H3;1H/t6-;/m1./s1
InChIKeyQINNXGQDPPXYQJ-FYZOBXCZSA-N
MW251.66 g/mol
LogP2.18
Rot. Bonds1

About (4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride

(4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride (PubChem CID 171252356) has the molecular formula C10H12ClF2NO2 and a molecular weight of 251.66 g/mol. Its IUPAC name is (4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride.

Molecular Properties

Compound Name(4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride
PubChem CID171252356
Molecular FormulaC10H12ClF2NO2
Molecular Weight251.66 g/mol
Exact Mass251.05
IUPAC Name(4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride
SMILESCOc1cc2c(c(F)c1F)OCC[C@H]2N.Cl
InChIInChI=1S/C10H11F2NO2.ClH/c1-14-7-4-5-6(13)2-3-15-10(5)9(12)8(7)11;/h4,6H,2-3,13H2,1H3;1H/t6-;/m1./s1
InChIKeyQINNXGQDPPXYQJ-FYZOBXCZSA-N
XLogP2.18
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.66
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-6-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252186
(4S)-8-fluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252232
(1S)-4,5-difluoro-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 55272365
(4R)-8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 103693937
6-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine
CID 55293947
(4S)-7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252194
(4S)-10-methoxy-3,4-dihydro-2H-benzo[g]chromen-4-amine;hydrochloride
CID 171252130
(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
methyl 4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylate
CID 146014124
(4S)-7-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 130658442
(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 42220750

Frequently Asked Questions

What is the IUPAC name of (4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The IUPAC name of (4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride (CID 171252356) is (4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride.
What is the SMILES notation for (4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The canonical SMILES for (4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride is COc1cc2c(c(F)c1F)OCC[C@H]2N.Cl.
What is the InChIKey of (4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
The InChIKey is QINNXGQDPPXYQJ-FYZOBXCZSA-N. The full InChI is InChI=1S/C10H11F2NO2.ClH/c1-14-7-4-5-6(13)2-3-15-10(5)9(12)8(7)11;/h4,6H,2-3,13H2,1H3;1H/t6-;/m1./s1.
What are the key properties of (4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride?
(4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride has a molecular weight of 251.66 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride is sourced from PubChem (CID 171252356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).