(4S)-8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine

C9H11FN2O — CID 55292280

IUPAC(4S)-8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine
SMILESNc1ccc2c(c1F)OCC[C@@H]2N
InChIInChI=1S/C9H11FN2O/c10-8-7(12)2-1-5-6(11)3-4-13-9(5)8/h1-2,6H,3-4,11-12H2/t6-/m0/s1
InChIKeyZBEVSHRDBPOGKL-LURJTMIESA-N
MW182.20 g/mol
LogP1.19
Rot. Bonds

About (4S)-8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine

(4S)-8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine (PubChem CID 55292280) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is (4S)-8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine.

Molecular Properties

Compound Name(4S)-8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine
PubChem CID55292280
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name(4S)-8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine
SMILESNc1ccc2c(c1F)OCC[C@@H]2N
InChIInChI=1S/C9H11FN2O/c10-8-7(12)2-1-5-6(11)3-4-13-9(5)8/h1-2,6H,3-4,11-12H2/t6-/m0/s1
InChIKeyZBEVSHRDBPOGKL-LURJTMIESA-N
XLogP1.19
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine
CID 55294993
(4S)-7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252194
(4R)-7-fluoro-3,4-dihydro-2H-chromene-4,8-diamine
CID 131161469
4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylic acid;hydrochloride
CID 162344563
methyl 4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylate
CID 146014124
(4R)-8-methyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 75412145
(4S)-8-methylsulfanyl-3,4-dihydro-2H-chromen-4-amine
CID 130613783
(4R)-8-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-amine
CID 46911909
(4S)-6-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252186
(4R)-8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 91844828
8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 71432700
(4R)-4-amino-7-methylsulfanyl-3,4-dihydro-2H-chromen-8-ol
CID 130707462

Frequently Asked Questions

What is the IUPAC name of (4S)-8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine?
The IUPAC name of (4S)-8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine (CID 55292280) is (4S)-8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine.
What is the SMILES notation for (4S)-8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine?
The canonical SMILES for (4S)-8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine is Nc1ccc2c(c1F)OCC[C@@H]2N.
What is the InChIKey of (4S)-8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine?
The InChIKey is ZBEVSHRDBPOGKL-LURJTMIESA-N. The full InChI is InChI=1S/C9H11FN2O/c10-8-7(12)2-1-5-6(11)3-4-13-9(5)8/h1-2,6H,3-4,11-12H2/t6-/m0/s1.
What are the key properties of (4S)-8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine?
(4S)-8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine has a molecular weight of 182.20 g/mol, XLogP of 1.19, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-fluoro-3,4-dihydro-2H-chromene-4,7-diamine is sourced from PubChem (CID 55292280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).