(2R)-2-[(1R)-2-(benzylamino)-1-hydroxyethyl]-6-fluoro-2,3-dihydrochromen-4-one

C18H18FNO3 — CID 10041383

IUPAC(2R)-2-[(1R)-2-(benzylamino)-1-hydroxyethyl]-6-fluoro-2,3-dihydrochromen-4-one
SMILESO=C1C[C@H]([C@H](O)CNCc2ccccc2)Oc2ccc(F)cc21
InChIInChI=1S/C18H18FNO3/c19-13-6-7-17-14(8-13)15(21)9-18(23-17)16(22)11-20-10-12-4-2-1-3-5-12/h1-8,16,18,20,22H,9-11H2/t16-,18-/m1/s1
InChIKeyCHEVUKFNOPAQBH-SJLPKXTDSA-N
MW315.34 g/mol
LogP2.31
Rot. Bonds5

About (2R)-2-[(1R)-2-(benzylamino)-1-hydroxyethyl]-6-fluoro-2,3-dihydrochromen-4-one

(2R)-2-[(1R)-2-(benzylamino)-1-hydroxyethyl]-6-fluoro-2,3-dihydrochromen-4-one (PubChem CID 10041383) has the molecular formula C18H18FNO3 and a molecular weight of 315.34 g/mol. Its IUPAC name is (2R)-2-[(1R)-2-(benzylamino)-1-hydroxyethyl]-6-fluoro-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2R)-2-[(1R)-2-(benzylamino)-1-hydroxyethyl]-6-fluoro-2,3-dihydrochromen-4-one
PubChem CID10041383
Molecular FormulaC18H18FNO3
Molecular Weight315.34 g/mol
Exact Mass315.13
IUPAC Name(2R)-2-[(1R)-2-(benzylamino)-1-hydroxyethyl]-6-fluoro-2,3-dihydrochromen-4-one
SMILESO=C1C[C@H]([C@H](O)CNCc2ccccc2)Oc2ccc(F)cc21
InChIInChI=1S/C18H18FNO3/c19-13-6-7-17-14(8-13)15(21)9-18(23-17)16(22)11-20-10-12-4-2-1-3-5-12/h1-8,16,18,20,22H,9-11H2/t16-,18-/m1/s1
InChIKeyCHEVUKFNOPAQBH-SJLPKXTDSA-N
XLogP2.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-2-(benzylamino)-1-hydroxyethyl]-6-fluoro-2,3-dihydrochromen-4-one?
The IUPAC name of (2R)-2-[(1R)-2-(benzylamino)-1-hydroxyethyl]-6-fluoro-2,3-dihydrochromen-4-one (CID 10041383) is (2R)-2-[(1R)-2-(benzylamino)-1-hydroxyethyl]-6-fluoro-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2R)-2-[(1R)-2-(benzylamino)-1-hydroxyethyl]-6-fluoro-2,3-dihydrochromen-4-one?
The canonical SMILES for (2R)-2-[(1R)-2-(benzylamino)-1-hydroxyethyl]-6-fluoro-2,3-dihydrochromen-4-one is O=C1C[C@H]([C@H](O)CNCc2ccccc2)Oc2ccc(F)cc21.
What is the InChIKey of (2R)-2-[(1R)-2-(benzylamino)-1-hydroxyethyl]-6-fluoro-2,3-dihydrochromen-4-one?
The InChIKey is CHEVUKFNOPAQBH-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H18FNO3/c19-13-6-7-17-14(8-13)15(21)9-18(23-17)16(22)11-20-10-12-4-2-1-3-5-12/h1-8,16,18,20,22H,9-11H2/t16-,18-/m1/s1.
What are the key properties of (2R)-2-[(1R)-2-(benzylamino)-1-hydroxyethyl]-6-fluoro-2,3-dihydrochromen-4-one?
(2R)-2-[(1R)-2-(benzylamino)-1-hydroxyethyl]-6-fluoro-2,3-dihydrochromen-4-one has a molecular weight of 315.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-2-(benzylamino)-1-hydroxyethyl]-6-fluoro-2,3-dihydrochromen-4-one is sourced from PubChem (CID 10041383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).