(4R)-6-fluoro-5-iodo-3,4-dihydro-2H-chromen-4-amine

C9H9FINO — CID 130779709

IUPAC(4R)-6-fluoro-5-iodo-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CCOc2ccc(F)c(I)c21
InChIInChI=1S/C9H9FINO/c10-5-1-2-7-8(9(5)11)6(12)3-4-13-7/h1-2,6H,3-4,12H2/t6-/m1/s1
InChIKeyYUAORVRJZMHEGT-ZCFIWIBFSA-N
MW293.08 g/mol
LogP2.21
Rot. Bonds

About (4R)-6-fluoro-5-iodo-3,4-dihydro-2H-chromen-4-amine

(4R)-6-fluoro-5-iodo-3,4-dihydro-2H-chromen-4-amine (PubChem CID 130779709) has the molecular formula C9H9FINO and a molecular weight of 293.08 g/mol. Its IUPAC name is (4R)-6-fluoro-5-iodo-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-6-fluoro-5-iodo-3,4-dihydro-2H-chromen-4-amine
PubChem CID130779709
Molecular FormulaC9H9FINO
Molecular Weight293.08 g/mol
Exact Mass292.97
IUPAC Name(4R)-6-fluoro-5-iodo-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CCOc2ccc(F)c(I)c21
InChIInChI=1S/C9H9FINO/c10-5-1-2-7-8(9(5)11)6(12)3-4-13-7/h1-2,6H,3-4,12H2/t6-/m1/s1
InChIKeyYUAORVRJZMHEGT-ZCFIWIBFSA-N
XLogP2.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.08
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-amino-5-iodo-3,4-dihydro-2H-chromen-6-ol
CID 131076126
(4S)-4-amino-5-fluoro-3,4-dihydro-2H-chromen-6-ol
CID 130611343
5,8-difluoro-3,4-dihydro-2H-chromen-4-amine
CID 59704967
(4S)-5,6,7-trifluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252159
(4S)-8-fluoro-5-methyl-3,4-dihydro-2H-chromen-4-amine
CID 78961066
(4R)-5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine
CID 55275271
(4S)-8-bromo-5-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 79022059
(4S)-8-chloro-5-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252255
(3S)-4-fluoro-5-iodo-2,3-dihydro-1-benzofuran-3-amine
CID 130722439
(4R)-4-amino-5-ethyl-3,4-dihydro-2H-chromen-6-ol
CID 130699791
(4R)-7-fluoro-3,4-dihydro-2H-chromene-4,8-diamine
CID 131161469
(4S)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-5-ol
CID 130642446

Frequently Asked Questions

What is the IUPAC name of (4R)-6-fluoro-5-iodo-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-6-fluoro-5-iodo-3,4-dihydro-2H-chromen-4-amine (CID 130779709) is (4R)-6-fluoro-5-iodo-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-6-fluoro-5-iodo-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-6-fluoro-5-iodo-3,4-dihydro-2H-chromen-4-amine is N[C@@H]1CCOc2ccc(F)c(I)c21.
What is the InChIKey of (4R)-6-fluoro-5-iodo-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is YUAORVRJZMHEGT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H9FINO/c10-5-1-2-7-8(9(5)11)6(12)3-4-13-7/h1-2,6H,3-4,12H2/t6-/m1/s1.
What are the key properties of (4R)-6-fluoro-5-iodo-3,4-dihydro-2H-chromen-4-amine?
(4R)-6-fluoro-5-iodo-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 293.08 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-fluoro-5-iodo-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 130779709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).