2-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-diazaspiro[5.5]undecane-1,4-dione

C16H16F4N2O2 — CID 167991541

IUPAC2-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-diazaspiro[5.5]undecane-1,4-dione
SMILESO=C1CC2(CCCCC2)C(=O)N(c2ccc(F)cc2C(F)(F)F)N1
InChIInChI=1S/C16H16F4N2O2/c17-10-4-5-12(11(8-10)16(18,19)20)22-14(24)15(9-13(23)21-22)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2,(H,21,23)
InChIKeyLFBKUXWSOIGVAW-UHFFFAOYSA-N
MW344.31 g/mol
LogP3.56
Rot. Bonds1

About 2-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-diazaspiro[5.5]undecane-1,4-dione

2-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-diazaspiro[5.5]undecane-1,4-dione (PubChem CID 167991541) has the molecular formula C16H16F4N2O2 and a molecular weight of 344.31 g/mol. Its IUPAC name is 2-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-diazaspiro[5.5]undecane-1,4-dione.

Molecular Properties

Compound Name2-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-diazaspiro[5.5]undecane-1,4-dione
PubChem CID167991541
Molecular FormulaC16H16F4N2O2
Molecular Weight344.31 g/mol
Exact Mass344.11
IUPAC Name2-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-diazaspiro[5.5]undecane-1,4-dione
SMILESO=C1CC2(CCCCC2)C(=O)N(c2ccc(F)cc2C(F)(F)F)N1
InChIInChI=1S/C16H16F4N2O2/c17-10-4-5-12(11(8-10)16(18,19)20)22-14(24)15(9-13(23)21-22)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2,(H,21,23)
InChIKeyLFBKUXWSOIGVAW-UHFFFAOYSA-N
XLogP3.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1,4-dioxo-2,3-diazaspiro[5.5]undecan-2-yl)benzoic acid
CID 16778085
1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrole
CID 171371245
N-[1-(aminomethyl)cyclopentyl]-4-fluoro-2-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119980813
1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 119961668
9-(4-fluoro-2-iodophenyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 79772565
10-(2,4-difluorophenyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64957868
4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64959075
4-fluoro-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 165446474
2-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-2-azaspiro[4.5]decan-1-one
CID 24863747
4-(aminomethyl)-1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168660629
1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-N-methylpiperidin-4-amine
CID 119980033
2-[(4-fluorophenyl)methoxy]-2-azaspiro[4.4]nonane-1,3-dione
CID 15657799

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-diazaspiro[5.5]undecane-1,4-dione?
The IUPAC name of 2-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-diazaspiro[5.5]undecane-1,4-dione (CID 167991541) is 2-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-diazaspiro[5.5]undecane-1,4-dione.
What is the SMILES notation for 2-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-diazaspiro[5.5]undecane-1,4-dione?
The canonical SMILES for 2-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-diazaspiro[5.5]undecane-1,4-dione is O=C1CC2(CCCCC2)C(=O)N(c2ccc(F)cc2C(F)(F)F)N1.
What is the InChIKey of 2-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-diazaspiro[5.5]undecane-1,4-dione?
The InChIKey is LFBKUXWSOIGVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F4N2O2/c17-10-4-5-12(11(8-10)16(18,19)20)22-14(24)15(9-13(23)21-22)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2,(H,21,23).
What are the key properties of 2-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-diazaspiro[5.5]undecane-1,4-dione?
2-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-diazaspiro[5.5]undecane-1,4-dione has a molecular weight of 344.31 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(trifluoromethyl)phenyl]-2,3-diazaspiro[5.5]undecane-1,4-dione is sourced from PubChem (CID 167991541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).