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

C9H11FN2O — CID 131161469

IUPAC(4R)-7-fluoro-3,4-dihydro-2H-chromene-4,8-diamine
SMILESNc1c(F)ccc2c1OCC[C@H]2N
InChIInChI=1S/C9H11FN2O/c10-6-2-1-5-7(11)3-4-13-9(5)8(6)12/h1-2,7H,3-4,11-12H2/t7-/m1/s1
InChIKeyYHOJRFLAHAJGNO-SSDOTTSWSA-N
MW182.20 g/mol
LogP1.19
Rot. Bonds

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

(4R)-7-fluoro-3,4-dihydro-2H-chromene-4,8-diamine (PubChem CID 131161469) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is (4R)-7-fluoro-3,4-dihydro-2H-chromene-4,8-diamine.

Molecular Properties

Compound Name(4R)-7-fluoro-3,4-dihydro-2H-chromene-4,8-diamine
PubChem CID131161469
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name(4R)-7-fluoro-3,4-dihydro-2H-chromene-4,8-diamine
SMILESNc1c(F)ccc2c1OCC[C@H]2N
InChIInChI=1S/C9H11FN2O/c10-6-2-1-5-7(11)3-4-13-9(5)8(6)12/h1-2,7H,3-4,11-12H2/t7-/m1/s1
InChIKeyYHOJRFLAHAJGNO-SSDOTTSWSA-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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Frequently Asked Questions

What is the IUPAC name of (4R)-7-fluoro-3,4-dihydro-2H-chromene-4,8-diamine?
The IUPAC name of (4R)-7-fluoro-3,4-dihydro-2H-chromene-4,8-diamine (CID 131161469) is (4R)-7-fluoro-3,4-dihydro-2H-chromene-4,8-diamine.
What is the SMILES notation for (4R)-7-fluoro-3,4-dihydro-2H-chromene-4,8-diamine?
The canonical SMILES for (4R)-7-fluoro-3,4-dihydro-2H-chromene-4,8-diamine is Nc1c(F)ccc2c1OCC[C@H]2N.
What is the InChIKey of (4R)-7-fluoro-3,4-dihydro-2H-chromene-4,8-diamine?
The InChIKey is YHOJRFLAHAJGNO-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H11FN2O/c10-6-2-1-5-7(11)3-4-13-9(5)8(6)12/h1-2,7H,3-4,11-12H2/t7-/m1/s1.
What are the key properties of (4R)-7-fluoro-3,4-dihydro-2H-chromene-4,8-diamine?
(4R)-7-fluoro-3,4-dihydro-2H-chromene-4,8-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 (4R)-7-fluoro-3,4-dihydro-2H-chromene-4,8-diamine is sourced from PubChem (CID 131161469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).