2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,8-diazaspiro[5.5]undecane

C14H22F2N4 — CID 102850102

IUPAC2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,8-diazaspiro[5.5]undecane
SMILESFC(F)n1ccnc1CN1CCCC2(CCCNC2)C1
InChIInChI=1S/C14H22F2N4/c15-13(16)20-8-6-18-12(20)9-19-7-2-4-14(11-19)3-1-5-17-10-14/h6,8,13,17H,1-5,7,9-11H2
InChIKeyICYXBFKPWCKFRD-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.24
Rot. Bonds3

About 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,8-diazaspiro[5.5]undecane

2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,8-diazaspiro[5.5]undecane (PubChem CID 102850102) has the molecular formula C14H22F2N4 and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,8-diazaspiro[5.5]undecane
PubChem CID102850102
Molecular FormulaC14H22F2N4
Molecular Weight284.35 g/mol
Exact Mass284.18
IUPAC Name2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,8-diazaspiro[5.5]undecane
SMILESFC(F)n1ccnc1CN1CCCC2(CCCNC2)C1
InChIInChI=1S/C14H22F2N4/c15-13(16)20-8-6-18-12(20)9-19-7-2-4-14(11-19)3-1-5-17-10-14/h6,8,13,17H,1-5,7,9-11H2
InChIKeyICYXBFKPWCKFRD-UHFFFAOYSA-N
XLogP2.24
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,8-diazaspiro[5.5]undecane?
The IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,8-diazaspiro[5.5]undecane (CID 102850102) is 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,8-diazaspiro[5.5]undecane?
The canonical SMILES for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,8-diazaspiro[5.5]undecane is FC(F)n1ccnc1CN1CCCC2(CCCNC2)C1.
What is the InChIKey of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,8-diazaspiro[5.5]undecane?
The InChIKey is ICYXBFKPWCKFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N4/c15-13(16)20-8-6-18-12(20)9-19-7-2-4-14(11-19)3-1-5-17-10-14/h6,8,13,17H,1-5,7,9-11H2.
What are the key properties of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,8-diazaspiro[5.5]undecane?
2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,8-diazaspiro[5.5]undecane has a molecular weight of 284.35 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 102850102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).