(5S)-2-ethyl-6,6-difluoro-2,9-diazaspiro[4.5]decane

C10H18F2N2 — CID 129237633

IUPAC(5S)-2-ethyl-6,6-difluoro-2,9-diazaspiro[4.5]decane
SMILESCCN1CC[C@]2(CNCCC2(F)F)C1
InChIInChI=1S/C10H18F2N2/c1-2-14-6-4-9(8-14)7-13-5-3-10(9,11)12/h13H,2-8H2,1H3/t9-/m0/s1
InChIKeyKIBHUYGTLJNRBK-VIFPVBQESA-N
MW204.26 g/mol
LogP1.33
Rot. Bonds1

About (5S)-2-ethyl-6,6-difluoro-2,9-diazaspiro[4.5]decane

(5S)-2-ethyl-6,6-difluoro-2,9-diazaspiro[4.5]decane (PubChem CID 129237633) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is (5S)-2-ethyl-6,6-difluoro-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-2-ethyl-6,6-difluoro-2,9-diazaspiro[4.5]decane
PubChem CID129237633
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC Name(5S)-2-ethyl-6,6-difluoro-2,9-diazaspiro[4.5]decane
SMILESCCN1CC[C@]2(CNCCC2(F)F)C1
InChIInChI=1S/C10H18F2N2/c1-2-14-6-4-9(8-14)7-13-5-3-10(9,11)12/h13H,2-8H2,1H3/t9-/m0/s1
InChIKeyKIBHUYGTLJNRBK-VIFPVBQESA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-Methyl-2,8-diazaspiro[4.5]decane
CID 20713888
2-Methyl-2,7-diazaspiro[4.5]decane
CID 20713879
7-Methyl-2,7-diazaspiro(4.5)decane
CID 55265305
2-Methyl-2,7-diazaspiro[4.5]decane dihydrochloride
CID 71743834
4-Methyl-4-[(pyrrolidin-1-yl)methyl]piperidine
CID 63122996
6,6-Difluoro-2-methyl-2,8-diazaspiro(4.5)decane
CID 155893548
2,7-Diazaspiro[4.5]decane
CID 18626461
2-(3,3,3-Trifluoropropyl)-2,8-diazaspiro[4.5]decane
CID 56705019
2-[(3-Fluoropyrrolidin-1-yl)methyl]-3,3-dimethylpiperidine
CID 23190305
2-[(3-Fluoropyrrolidin-1-yl)methyl]-4,4-dimethylpiperidine
CID 23190315
2-Methyl-2,8-diazaspiro[4.5]decane
CID 52644121
2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-4,4-dimethylpiperidine
CID 57102764

Frequently Asked Questions

What is the IUPAC name of (5S)-2-ethyl-6,6-difluoro-2,9-diazaspiro[4.5]decane?
The IUPAC name of (5S)-2-ethyl-6,6-difluoro-2,9-diazaspiro[4.5]decane (CID 129237633) is (5S)-2-ethyl-6,6-difluoro-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-2-ethyl-6,6-difluoro-2,9-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-2-ethyl-6,6-difluoro-2,9-diazaspiro[4.5]decane is CCN1CC[C@]2(CNCCC2(F)F)C1.
What is the InChIKey of (5S)-2-ethyl-6,6-difluoro-2,9-diazaspiro[4.5]decane?
The InChIKey is KIBHUYGTLJNRBK-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18F2N2/c1-2-14-6-4-9(8-14)7-13-5-3-10(9,11)12/h13H,2-8H2,1H3/t9-/m0/s1.
What are the key properties of (5S)-2-ethyl-6,6-difluoro-2,9-diazaspiro[4.5]decane?
(5S)-2-ethyl-6,6-difluoro-2,9-diazaspiro[4.5]decane has a molecular weight of 204.26 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-ethyl-6,6-difluoro-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 129237633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).