ethane;7-ethyl-5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane

C14H30F2N2 — CID 154670431

IUPACethane;7-ethyl-5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane
SMILESCC.CC.CCN1CCC2(CN(C)C2)C(F)(F)C1
InChIInChI=1S/C10H18F2N2.2C2H6/c1-3-14-5-4-9(6-13(2)7-9)10(11,12)8-14;2*1-2/h3-8H2,1-2H3;2*1-2H3
InChIKeyXJDNBRXVJCSORG-UHFFFAOYSA-N
MW264.40 g/mol
LogP3.33
Rot. Bonds1

About ethane;7-ethyl-5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane

ethane;7-ethyl-5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane (PubChem CID 154670431) has the molecular formula C14H30F2N2 and a molecular weight of 264.40 g/mol. Its IUPAC name is ethane;7-ethyl-5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Nameethane;7-ethyl-5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane
PubChem CID154670431
Molecular FormulaC14H30F2N2
Molecular Weight264.40 g/mol
Exact Mass264.24
IUPAC Nameethane;7-ethyl-5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane
SMILESCC.CC.CCN1CCC2(CN(C)C2)C(F)(F)C1
InChIInChI=1S/C10H18F2N2.2C2H6/c1-3-14-5-4-9(6-13(2)7-9)10(11,12)8-14;2*1-2/h3-8H2,1-2H3;2*1-2H3
InChIKeyXJDNBRXVJCSORG-UHFFFAOYSA-N
XLogP3.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;7-ethyl-5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of ethane;7-ethyl-5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane (CID 154670431) is ethane;7-ethyl-5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for ethane;7-ethyl-5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for ethane;7-ethyl-5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane is CC.CC.CCN1CCC2(CN(C)C2)C(F)(F)C1.
What is the InChIKey of ethane;7-ethyl-5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is XJDNBRXVJCSORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2.2C2H6/c1-3-14-5-4-9(6-13(2)7-9)10(11,12)8-14;2*1-2/h3-8H2,1-2H3;2*1-2H3.
What are the key properties of ethane;7-ethyl-5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane?
ethane;7-ethyl-5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 264.40 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-ethyl-5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 154670431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).