6-[(2,3-difluorophenyl)methyl]-6,9-diazaspiro[4.5]decane

C15H20F2N2 — CID 64845217

IUPAC6-[(2,3-difluorophenyl)methyl]-6,9-diazaspiro[4.5]decane
SMILESFc1cccc(CN2CCNCC23CCCC3)c1F
InChIInChI=1S/C15H20F2N2/c16-13-5-3-4-12(14(13)17)10-19-9-8-18-11-15(19)6-1-2-7-15/h3-5,18H,1-2,6-11H2
InChIKeyKIGQSGYKRQGLGJ-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.68
Rot. Bonds2

About 6-[(2,3-difluorophenyl)methyl]-6,9-diazaspiro[4.5]decane

6-[(2,3-difluorophenyl)methyl]-6,9-diazaspiro[4.5]decane (PubChem CID 64845217) has the molecular formula C15H20F2N2 and a molecular weight of 266.33 g/mol. Its IUPAC name is 6-[(2,3-difluorophenyl)methyl]-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6-[(2,3-difluorophenyl)methyl]-6,9-diazaspiro[4.5]decane
PubChem CID64845217
Molecular FormulaC15H20F2N2
Molecular Weight266.33 g/mol
Exact Mass266.16
IUPAC Name6-[(2,3-difluorophenyl)methyl]-6,9-diazaspiro[4.5]decane
SMILESFc1cccc(CN2CCNCC23CCCC3)c1F
InChIInChI=1S/C15H20F2N2/c16-13-5-3-4-12(14(13)17)10-19-9-8-18-11-15(19)6-1-2-7-15/h3-5,18H,1-2,6-11H2
InChIKeyKIGQSGYKRQGLGJ-UHFFFAOYSA-N
XLogP2.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(naphthalen-1-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64845220
1-[(5-chloro-2-fluorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 114857928
1-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 102877776
1-[(2,5-dichlorophenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 65317459
7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 56909547
6-[[3-(trifluoromethyl)phenyl]methyl]-6,9-diazaspiro[4.5]decane
CID 64846799
6-[(3-fluoro-4-methoxyphenyl)methyl]-6,9-diazaspiro[4.5]decane
CID 64844626
10-[(2,3-difluorophenyl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64869501
1-[(2,3-difluorophenyl)methyl]azetidine
CID 126989798
1-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazaspiro[5.5]undecane;hydrochloride
CID 119933207
3-(6,9-diazaspiro[4.5]decan-6-ylmethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 176681666
6-(quinolin-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64845221

Frequently Asked Questions

What is the IUPAC name of 6-[(2,3-difluorophenyl)methyl]-6,9-diazaspiro[4.5]decane?
The IUPAC name of 6-[(2,3-difluorophenyl)methyl]-6,9-diazaspiro[4.5]decane (CID 64845217) is 6-[(2,3-difluorophenyl)methyl]-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 6-[(2,3-difluorophenyl)methyl]-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 6-[(2,3-difluorophenyl)methyl]-6,9-diazaspiro[4.5]decane is Fc1cccc(CN2CCNCC23CCCC3)c1F.
What is the InChIKey of 6-[(2,3-difluorophenyl)methyl]-6,9-diazaspiro[4.5]decane?
The InChIKey is KIGQSGYKRQGLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2/c16-13-5-3-4-12(14(13)17)10-19-9-8-18-11-15(19)6-1-2-7-15/h3-5,18H,1-2,6-11H2.
What are the key properties of 6-[(2,3-difluorophenyl)methyl]-6,9-diazaspiro[4.5]decane?
6-[(2,3-difluorophenyl)methyl]-6,9-diazaspiro[4.5]decane has a molecular weight of 266.33 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,3-difluorophenyl)methyl]-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64845217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).