(4R,5S)-4-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl]-10-oxa-2,6-diazaspiro[4.6]undecan-7-one

C21H22F2N2O2 — CID 92568916

IUPAC(4R,5S)-4-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl]-10-oxa-2,6-diazaspiro[4.6]undecan-7-one
SMILESO=C1CCOC[C@]2(CN(Cc3ccc(F)cc3)C[C@H]2c2cccc(F)c2)N1
InChIInChI=1S/C21H22F2N2O2/c22-17-6-4-15(5-7-17)11-25-12-19(16-2-1-3-18(23)10-16)21(13-25)14-27-9-8-20(26)24-21/h1-7,10,19H,8-9,11-14H2,(H,24,26)/t19-,21-/m0/s1
InChIKeyVGUSBVZADNZUGE-FPOVZHCZSA-N
MW372.42 g/mol
LogP2.84
Rot. Bonds3

About (4R,5S)-4-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl]-10-oxa-2,6-diazaspiro[4.6]undecan-7-one

(4R,5S)-4-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl]-10-oxa-2,6-diazaspiro[4.6]undecan-7-one (PubChem CID 92568916) has the molecular formula C21H22F2N2O2 and a molecular weight of 372.42 g/mol. Its IUPAC name is (4R,5S)-4-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl]-10-oxa-2,6-diazaspiro[4.6]undecan-7-one.

Molecular Properties

Compound Name(4R,5S)-4-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl]-10-oxa-2,6-diazaspiro[4.6]undecan-7-one
PubChem CID92568916
Molecular FormulaC21H22F2N2O2
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name(4R,5S)-4-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl]-10-oxa-2,6-diazaspiro[4.6]undecan-7-one
SMILESO=C1CCOC[C@]2(CN(Cc3ccc(F)cc3)C[C@H]2c2cccc(F)c2)N1
InChIInChI=1S/C21H22F2N2O2/c22-17-6-4-15(5-7-17)11-25-12-19(16-2-1-3-18(23)10-16)21(13-25)14-27-9-8-20(26)24-21/h1-7,10,19H,8-9,11-14H2,(H,24,26)/t19-,21-/m0/s1
InChIKeyVGUSBVZADNZUGE-FPOVZHCZSA-N
XLogP2.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl]-10-oxa-2,6-diazaspiro[4.6]undecan-7-one?
The IUPAC name of (4R,5S)-4-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl]-10-oxa-2,6-diazaspiro[4.6]undecan-7-one (CID 92568916) is (4R,5S)-4-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl]-10-oxa-2,6-diazaspiro[4.6]undecan-7-one.
What is the SMILES notation for (4R,5S)-4-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl]-10-oxa-2,6-diazaspiro[4.6]undecan-7-one?
The canonical SMILES for (4R,5S)-4-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl]-10-oxa-2,6-diazaspiro[4.6]undecan-7-one is O=C1CCOC[C@]2(CN(Cc3ccc(F)cc3)C[C@H]2c2cccc(F)c2)N1.
What is the InChIKey of (4R,5S)-4-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl]-10-oxa-2,6-diazaspiro[4.6]undecan-7-one?
The InChIKey is VGUSBVZADNZUGE-FPOVZHCZSA-N. The full InChI is InChI=1S/C21H22F2N2O2/c22-17-6-4-15(5-7-17)11-25-12-19(16-2-1-3-18(23)10-16)21(13-25)14-27-9-8-20(26)24-21/h1-7,10,19H,8-9,11-14H2,(H,24,26)/t19-,21-/m0/s1.
What are the key properties of (4R,5S)-4-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl]-10-oxa-2,6-diazaspiro[4.6]undecan-7-one?
(4R,5S)-4-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl]-10-oxa-2,6-diazaspiro[4.6]undecan-7-one has a molecular weight of 372.42 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl]-10-oxa-2,6-diazaspiro[4.6]undecan-7-one is sourced from PubChem (CID 92568916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).