3-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C15H16F4N2O2 — CID 72840720

IUPAC3-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCNCC2)CN1Cc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C15H16F4N2O2/c16-12-2-1-11(15(17,18)19)7-10(12)8-21-9-14(23-13(21)22)3-5-20-6-4-14/h1-2,7,20H,3-6,8-9H2
InChIKeyAPASWNZYRMIHQX-UHFFFAOYSA-N
MW332.30 g/mol
LogP2.92
Rot. Bonds2

About 3-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 72840720) has the molecular formula C15H16F4N2O2 and a molecular weight of 332.30 g/mol. Its IUPAC name is 3-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID72840720
Molecular FormulaC15H16F4N2O2
Molecular Weight332.30 g/mol
Exact Mass332.11
IUPAC Name3-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCNCC2)CN1Cc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C15H16F4N2O2/c16-12-2-1-11(15(17,18)19)7-10(12)8-21-9-14(23-13(21)22)3-5-20-6-4-14/h1-2,7,20H,3-6,8-9H2
InChIKeyAPASWNZYRMIHQX-UHFFFAOYSA-N
XLogP2.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 72840720) is 3-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1OC2(CCNCC2)CN1Cc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 3-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is APASWNZYRMIHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4N2O2/c16-12-2-1-11(15(17,18)19)7-10(12)8-21-9-14(23-13(21)22)3-5-20-6-4-14/h1-2,7,20H,3-6,8-9H2.
What are the key properties of 3-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 332.30 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 72840720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).