(4S)-8-fluoro-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine

C20H17F2NO2 — CID 166232718

IUPAC(4S)-8-fluoro-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESFc1ccccc1-c1ccc(CN[C@H]2CCOc3c(F)cccc32)o1
InChIInChI=1S/C20H17F2NO2/c21-16-6-2-1-4-14(16)19-9-8-13(25-19)12-23-18-10-11-24-20-15(18)5-3-7-17(20)22/h1-9,18,23H,10-12H2/t18-/m0/s1
InChIKeyCBLZJQSEZASWOS-SFHVURJKSA-N
MW341.36 g/mol
LogP4.84
Rot. Bonds4

About (4S)-8-fluoro-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine

(4S)-8-fluoro-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine (PubChem CID 166232718) has the molecular formula C20H17F2NO2 and a molecular weight of 341.36 g/mol. Its IUPAC name is (4S)-8-fluoro-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-8-fluoro-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine
PubChem CID166232718
Molecular FormulaC20H17F2NO2
Molecular Weight341.36 g/mol
Exact Mass341.12
IUPAC Name(4S)-8-fluoro-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine
SMILESFc1ccccc1-c1ccc(CN[C@H]2CCOc3c(F)cccc32)o1
InChIInChI=1S/C20H17F2NO2/c21-16-6-2-1-4-14(16)19-9-8-13(25-19)12-23-18-10-11-24-20-15(18)5-3-7-17(20)22/h1-9,18,23H,10-12H2/t18-/m0/s1
InChIKeyCBLZJQSEZASWOS-SFHVURJKSA-N
XLogP4.84
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-8-fluoro-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-8-fluoro-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine (CID 166232718) is (4S)-8-fluoro-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-8-fluoro-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-8-fluoro-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine is Fc1ccccc1-c1ccc(CN[C@H]2CCOc3c(F)cccc32)o1.
What is the InChIKey of (4S)-8-fluoro-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is CBLZJQSEZASWOS-SFHVURJKSA-N. The full InChI is InChI=1S/C20H17F2NO2/c21-16-6-2-1-4-14(16)19-9-8-13(25-19)12-23-18-10-11-24-20-15(18)5-3-7-17(20)22/h1-9,18,23H,10-12H2/t18-/m0/s1.
What are the key properties of (4S)-8-fluoro-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine?
(4S)-8-fluoro-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 341.36 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-fluoro-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 166232718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).