2-[(2,6-difluorophenyl)methyl]-9-(3-fluorophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one

C20H19F3N2O2 — CID 155986144

IUPAC2-[(2,6-difluorophenyl)methyl]-9-(3-fluorophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESO=C1COC2(CCN(Cc3c(F)cccc3F)C2)CN1c1cccc(F)c1
InChIInChI=1S/C20H19F3N2O2/c21-14-3-1-4-15(9-14)25-13-20(27-11-19(25)26)7-8-24(12-20)10-16-17(22)5-2-6-18(16)23/h1-6,9H,7-8,10-13H2
InChIKeyCAAWRTRVECPMPC-UHFFFAOYSA-N
MW376.38 g/mol
LogP3.11
Rot. Bonds3

About 2-[(2,6-difluorophenyl)methyl]-9-(3-fluorophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one

2-[(2,6-difluorophenyl)methyl]-9-(3-fluorophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one (PubChem CID 155986144) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methyl]-9-(3-fluorophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methyl]-9-(3-fluorophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
PubChem CID155986144
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name2-[(2,6-difluorophenyl)methyl]-9-(3-fluorophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESO=C1COC2(CCN(Cc3c(F)cccc3F)C2)CN1c1cccc(F)c1
InChIInChI=1S/C20H19F3N2O2/c21-14-3-1-4-15(9-14)25-13-20(27-11-19(25)26)7-8-24(12-20)10-16-17(22)5-2-6-18(16)23/h1-6,9H,7-8,10-13H2
InChIKeyCAAWRTRVECPMPC-UHFFFAOYSA-N
XLogP3.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluorophenyl)-9-[(4-methylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985884
4-(3-fluorophenyl)-9-[(4-methoxyphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985981
4-(3-fluorophenyl)-10-[(2-methylpyrazol-3-yl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986230
4-(3-fluorophenyl)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985939
2-[2-(dimethylamino)acetyl]-9-(3-fluorophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 155986078
4-(3-fluorophenyl)-8-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131659019
9-[(2-fluorophenyl)methyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985914
4-(3-fluorophenyl)-9-(2-methylpropanoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985831
4-(3-fluorophenyl)-9-(4-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985951
9-(3-fluorophenyl)-2-(2-methylpyrimidine-5-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 155986120
2-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 131660592
4-(3-fluorophenyl)-10-(4-methylbenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986315

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methyl]-9-(3-fluorophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The IUPAC name of 2-[(2,6-difluorophenyl)methyl]-9-(3-fluorophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one (CID 155986144) is 2-[(2,6-difluorophenyl)methyl]-9-(3-fluorophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methyl]-9-(3-fluorophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The canonical SMILES for 2-[(2,6-difluorophenyl)methyl]-9-(3-fluorophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one is O=C1COC2(CCN(Cc3c(F)cccc3F)C2)CN1c1cccc(F)c1.
What is the InChIKey of 2-[(2,6-difluorophenyl)methyl]-9-(3-fluorophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The InChIKey is CAAWRTRVECPMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c21-14-3-1-4-15(9-14)25-13-20(27-11-19(25)26)7-8-24(12-20)10-16-17(22)5-2-6-18(16)23/h1-6,9H,7-8,10-13H2.
What are the key properties of 2-[(2,6-difluorophenyl)methyl]-9-(3-fluorophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
2-[(2,6-difluorophenyl)methyl]-9-(3-fluorophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one has a molecular weight of 376.38 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methyl]-9-(3-fluorophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one is sourced from PubChem (CID 155986144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).