2-(6,6-difluoro-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)acetic acid

C16H20F2N2O2 — CID 118745786

IUPAC2-(6,6-difluoro-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)acetic acid
SMILESO=C(O)CN1CCC(F)(F)C2(CCN(c3ccccc3)C2)C1
InChIInChI=1S/C16H20F2N2O2/c17-16(18)7-8-19(10-14(21)22)11-15(16)6-9-20(12-15)13-4-2-1-3-5-13/h1-5H,6-12H2,(H,21,22)
InChIKeyIWQWRKLXCHUECR-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.31
Rot. Bonds3

About 2-(6,6-difluoro-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)acetic acid

2-(6,6-difluoro-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)acetic acid (PubChem CID 118745786) has the molecular formula C16H20F2N2O2 and a molecular weight of 310.34 g/mol. Its IUPAC name is 2-(6,6-difluoro-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)acetic acid.

Molecular Properties

Compound Name2-(6,6-difluoro-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)acetic acid
PubChem CID118745786
Molecular FormulaC16H20F2N2O2
Molecular Weight310.34 g/mol
Exact Mass310.15
IUPAC Name2-(6,6-difluoro-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)acetic acid
SMILESO=C(O)CN1CCC(F)(F)C2(CCN(c3ccccc3)C2)C1
InChIInChI=1S/C16H20F2N2O2/c17-16(18)7-8-19(10-14(21)22)11-15(16)6-9-20(12-15)13-4-2-1-3-5-13/h1-5H,6-12H2,(H,21,22)
InChIKeyIWQWRKLXCHUECR-UHFFFAOYSA-N
XLogP2.31
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6,6-difluoro-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)acetic acid?
The IUPAC name of 2-(6,6-difluoro-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)acetic acid (CID 118745786) is 2-(6,6-difluoro-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)acetic acid.
What is the SMILES notation for 2-(6,6-difluoro-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)acetic acid?
The canonical SMILES for 2-(6,6-difluoro-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)acetic acid is O=C(O)CN1CCC(F)(F)C2(CCN(c3ccccc3)C2)C1.
What is the InChIKey of 2-(6,6-difluoro-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)acetic acid?
The InChIKey is IWQWRKLXCHUECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O2/c17-16(18)7-8-19(10-14(21)22)11-15(16)6-9-20(12-15)13-4-2-1-3-5-13/h1-5H,6-12H2,(H,21,22).
What are the key properties of 2-(6,6-difluoro-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)acetic acid?
2-(6,6-difluoro-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)acetic acid has a molecular weight of 310.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-difluoro-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)acetic acid is sourced from PubChem (CID 118745786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).