(5R)-5-(fluoromethyl)-2-methyl-2,6-diazaspiro[3.4]octane

C8H15FN2 — CID 167037825

IUPAC(5R)-5-(fluoromethyl)-2-methyl-2,6-diazaspiro[3.4]octane
SMILESCN1CC2(CCN[C@H]2CF)C1
InChIInChI=1S/C8H15FN2/c1-11-5-8(6-11)2-3-10-7(8)4-9/h7,10H,2-6H2,1H3/t7-/m0/s1
InChIKeyZHOONBBMJKMFMQ-ZETCQYMHSA-N
MW158.22 g/mol
LogP0.25
Rot. Bonds1

About (5R)-5-(fluoromethyl)-2-methyl-2,6-diazaspiro[3.4]octane

(5R)-5-(fluoromethyl)-2-methyl-2,6-diazaspiro[3.4]octane (PubChem CID 167037825) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is (5R)-5-(fluoromethyl)-2-methyl-2,6-diazaspiro[3.4]octane.

Molecular Properties

Compound Name(5R)-5-(fluoromethyl)-2-methyl-2,6-diazaspiro[3.4]octane
PubChem CID167037825
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name(5R)-5-(fluoromethyl)-2-methyl-2,6-diazaspiro[3.4]octane
SMILESCN1CC2(CCN[C@H]2CF)C1
InChIInChI=1S/C8H15FN2/c1-11-5-8(6-11)2-3-10-7(8)4-9/h7,10H,2-6H2,1H3/t7-/m0/s1
InChIKeyZHOONBBMJKMFMQ-ZETCQYMHSA-N
XLogP0.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(fluoromethyl)-2-methyl-2,6-diazaspiro[3.4]octane?
The IUPAC name of (5R)-5-(fluoromethyl)-2-methyl-2,6-diazaspiro[3.4]octane (CID 167037825) is (5R)-5-(fluoromethyl)-2-methyl-2,6-diazaspiro[3.4]octane.
What is the SMILES notation for (5R)-5-(fluoromethyl)-2-methyl-2,6-diazaspiro[3.4]octane?
The canonical SMILES for (5R)-5-(fluoromethyl)-2-methyl-2,6-diazaspiro[3.4]octane is CN1CC2(CCN[C@H]2CF)C1.
What is the InChIKey of (5R)-5-(fluoromethyl)-2-methyl-2,6-diazaspiro[3.4]octane?
The InChIKey is ZHOONBBMJKMFMQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15FN2/c1-11-5-8(6-11)2-3-10-7(8)4-9/h7,10H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (5R)-5-(fluoromethyl)-2-methyl-2,6-diazaspiro[3.4]octane?
(5R)-5-(fluoromethyl)-2-methyl-2,6-diazaspiro[3.4]octane has a molecular weight of 158.22 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(fluoromethyl)-2-methyl-2,6-diazaspiro[3.4]octane is sourced from PubChem (CID 167037825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).