4-[(2,6-difluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane

C16H22F2N2 — CID 115882998

IUPAC4-[(2,6-difluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
SMILESFc1cccc(F)c1CN1CCNC2(CCCCC2)C1
InChIInChI=1S/C16H22F2N2/c17-14-5-4-6-15(18)13(14)11-20-10-9-19-16(12-20)7-2-1-3-8-16/h4-6,19H,1-3,7-12H2
InChIKeyYXQDUDIMOWTRRW-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.07
Rot. Bonds2

About 4-[(2,6-difluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane

4-[(2,6-difluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane (PubChem CID 115882998) has the molecular formula C16H22F2N2 and a molecular weight of 280.36 g/mol. Its IUPAC name is 4-[(2,6-difluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
PubChem CID115882998
Molecular FormulaC16H22F2N2
Molecular Weight280.36 g/mol
Exact Mass280.18
IUPAC Name4-[(2,6-difluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
SMILESFc1cccc(F)c1CN1CCNC2(CCCCC2)C1
InChIInChI=1S/C16H22F2N2/c17-14-5-4-6-15(18)13(14)11-20-10-9-19-16(12-20)7-2-1-3-8-16/h4-6,19H,1-3,7-12H2
InChIKeyYXQDUDIMOWTRRW-UHFFFAOYSA-N
XLogP3.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

10-[(2,3-difluorophenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64869501
4-[2-(2-fluorophenyl)ethyl]-1,4-diazaspiro[5.5]undecane
CID 64926773
11-[(2,6-dichlorophenyl)methyl]-7,11-diazaspiro[5.6]dodecane
CID 64859040
10-[(2,6-dichlorophenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64870099
4-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64831883
9-[(3-chloro-4-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64952975
4-[(3-bromo-5-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 79712039
(5S)-2-[(4-fluorophenyl)methyl]-2,6-diazaspiro[4.5]decane
CID 97305383
4-(3-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64952525
10-[(2,3-dichlorophenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 107310531
5-(1,4-diazaspiro[5.5]undecan-4-ylmethyl)-3-methyl-1,2-oxazole
CID 64952344
9-(2-phenylethyl)-6,9-diazaspiro[4.5]decane
CID 64834067

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 4-[(2,6-difluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane (CID 115882998) is 4-[(2,6-difluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-[(2,6-difluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 4-[(2,6-difluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane is Fc1cccc(F)c1CN1CCNC2(CCCCC2)C1.
What is the InChIKey of 4-[(2,6-difluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane?
The InChIKey is YXQDUDIMOWTRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2/c17-14-5-4-6-15(18)13(14)11-20-10-9-19-16(12-20)7-2-1-3-8-16/h4-6,19H,1-3,7-12H2.
What are the key properties of 4-[(2,6-difluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane?
4-[(2,6-difluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane has a molecular weight of 280.36 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 115882998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).