(5R)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane

C15H20F2N2 — CID 95724567

IUPAC(5R)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
SMILESFc1ccc(CN2CCC[C@]3(CCNC3)C2)cc1F
InChIInChI=1S/C15H20F2N2/c16-13-3-2-12(8-14(13)17)9-19-7-1-4-15(11-19)5-6-18-10-15/h2-3,8,18H,1,4-7,9-11H2/t15-/m1/s1
InChIKeyPFZNQQUPANSXIR-OAHLLOKOSA-N
MW266.33 g/mol
LogP2.54
Rot. Bonds2

About (5R)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane

(5R)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane (PubChem CID 95724567) has the molecular formula C15H20F2N2 and a molecular weight of 266.33 g/mol. Its IUPAC name is (5R)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5R)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
PubChem CID95724567
Molecular FormulaC15H20F2N2
Molecular Weight266.33 g/mol
Exact Mass266.16
IUPAC Name(5R)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
SMILESFc1ccc(CN2CCC[C@]3(CCNC3)C2)cc1F
InChIInChI=1S/C15H20F2N2/c16-13-3-2-12(8-14(13)17)9-19-7-1-4-15(11-19)5-6-18-10-15/h2-3,8,18H,1,4-7,9-11H2/t15-/m1/s1
InChIKeyPFZNQQUPANSXIR-OAHLLOKOSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane?
The IUPAC name of (5R)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane (CID 95724567) is (5R)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for (5R)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane?
The canonical SMILES for (5R)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane is Fc1ccc(CN2CCC[C@]3(CCNC3)C2)cc1F.
What is the InChIKey of (5R)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane?
The InChIKey is PFZNQQUPANSXIR-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20F2N2/c16-13-3-2-12(8-14(13)17)9-19-7-1-4-15(11-19)5-6-18-10-15/h2-3,8,18H,1,4-7,9-11H2/t15-/m1/s1.
What are the key properties of (5R)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane?
(5R)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane has a molecular weight of 266.33 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 95724567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).