(3R)-3-[cyclobutyl(cyclopentyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-ol

C18H24FNO2 — CID 54552478

IUPAC(3R)-3-[cyclobutyl(cyclopentyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-ol
SMILESOc1ccc(F)c2c1C[C@@H](N(C1CCCC1)C1CCC1)CO2
InChIInChI=1S/C18H24FNO2/c19-16-8-9-17(21)15-10-14(11-22-18(15)16)20(13-6-3-7-13)12-4-1-2-5-12/h8-9,12-14,21H,1-7,10-11H2/t14-/m1/s1
InChIKeyZKWFHCWPGHZLKT-CQSZACIVSA-N
MW305.39 g/mol
LogP3.63
Rot. Bonds3

About (3R)-3-[cyclobutyl(cyclopentyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-ol

(3R)-3-[cyclobutyl(cyclopentyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-ol (PubChem CID 54552478) has the molecular formula C18H24FNO2 and a molecular weight of 305.39 g/mol. Its IUPAC name is (3R)-3-[cyclobutyl(cyclopentyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-ol.

Molecular Properties

Compound Name(3R)-3-[cyclobutyl(cyclopentyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-ol
PubChem CID54552478
Molecular FormulaC18H24FNO2
Molecular Weight305.39 g/mol
Exact Mass305.18
IUPAC Name(3R)-3-[cyclobutyl(cyclopentyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-ol
SMILESOc1ccc(F)c2c1C[C@@H](N(C1CCCC1)C1CCC1)CO2
InChIInChI=1S/C18H24FNO2/c19-16-8-9-17(21)15-10-14(11-22-18(15)16)20(13-6-3-7-13)12-4-1-2-5-12/h8-9,12-14,21H,1-7,10-11H2/t14-/m1/s1
InChIKeyZKWFHCWPGHZLKT-CQSZACIVSA-N
XLogP3.63
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[cyclobutyl(cyclopentyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-ol?
The IUPAC name of (3R)-3-[cyclobutyl(cyclopentyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-ol (CID 54552478) is (3R)-3-[cyclobutyl(cyclopentyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-ol.
What is the SMILES notation for (3R)-3-[cyclobutyl(cyclopentyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-ol?
The canonical SMILES for (3R)-3-[cyclobutyl(cyclopentyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-ol is Oc1ccc(F)c2c1C[C@@H](N(C1CCCC1)C1CCC1)CO2.
What is the InChIKey of (3R)-3-[cyclobutyl(cyclopentyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-ol?
The InChIKey is ZKWFHCWPGHZLKT-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24FNO2/c19-16-8-9-17(21)15-10-14(11-22-18(15)16)20(13-6-3-7-13)12-4-1-2-5-12/h8-9,12-14,21H,1-7,10-11H2/t14-/m1/s1.
What are the key properties of (3R)-3-[cyclobutyl(cyclopentyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-ol?
(3R)-3-[cyclobutyl(cyclopentyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-ol has a molecular weight of 305.39 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[cyclobutyl(cyclopentyl)amino]-8-fluoro-3,4-dihydro-2H-chromen-5-ol is sourced from PubChem (CID 54552478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).