(4R)-5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine

C10H12FNO — CID 55275271

IUPAC(4R)-5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(F)c2c1OCC[C@H]2N
InChIInChI=1S/C10H12FNO/c1-6-2-3-7(11)9-8(12)4-5-13-10(6)9/h2-3,8H,4-5,12H2,1H3/t8-/m1/s1
InChIKeyDBSHUTSBIFQYGQ-MRVPVSSYSA-N
MW181.21 g/mol
LogP1.92
Rot. Bonds

About (4R)-5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine

(4R)-5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 55275271) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is (4R)-5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID55275271
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name(4R)-5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(F)c2c1OCC[C@H]2N
InChIInChI=1S/C10H12FNO/c1-6-2-3-7(11)9-8(12)4-5-13-10(6)9/h2-3,8H,4-5,12H2,1H3/t8-/m1/s1
InChIKeyDBSHUTSBIFQYGQ-MRVPVSSYSA-N
XLogP1.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine (CID 55275271) is (4R)-5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine is Cc1ccc(F)c2c1OCC[C@H]2N.
What is the InChIKey of (4R)-5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is DBSHUTSBIFQYGQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-6-2-3-7(11)9-8(12)4-5-13-10(6)9/h2-3,8H,4-5,12H2,1H3/t8-/m1/s1.
What are the key properties of (4R)-5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine?
(4R)-5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 181.21 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 55275271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).