2-[2-(1,1,1-trifluorobutan-2-yl)cyclopropyl]-5-oxa-2,8-diazaspiro[3.5]nonane

C13H21F3N2O — CID 155108100

IUPAC2-[2-(1,1,1-trifluorobutan-2-yl)cyclopropyl]-5-oxa-2,8-diazaspiro[3.5]nonane
SMILESCCC(C1CC1N1CC2(CNCCO2)C1)C(F)(F)F
InChIInChI=1S/C13H21F3N2O/c1-2-10(13(14,15)16)9-5-11(9)18-7-12(8-18)6-17-3-4-19-12/h9-11,17H,2-8H2,1H3
InChIKeyVVWNIICBSMSGRS-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.64
Rot. Bonds3

About 2-[2-(1,1,1-trifluorobutan-2-yl)cyclopropyl]-5-oxa-2,8-diazaspiro[3.5]nonane

2-[2-(1,1,1-trifluorobutan-2-yl)cyclopropyl]-5-oxa-2,8-diazaspiro[3.5]nonane (PubChem CID 155108100) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-[2-(1,1,1-trifluorobutan-2-yl)cyclopropyl]-5-oxa-2,8-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[2-(1,1,1-trifluorobutan-2-yl)cyclopropyl]-5-oxa-2,8-diazaspiro[3.5]nonane
PubChem CID155108100
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name2-[2-(1,1,1-trifluorobutan-2-yl)cyclopropyl]-5-oxa-2,8-diazaspiro[3.5]nonane
SMILESCCC(C1CC1N1CC2(CNCCO2)C1)C(F)(F)F
InChIInChI=1S/C13H21F3N2O/c1-2-10(13(14,15)16)9-5-11(9)18-7-12(8-18)6-17-3-4-19-12/h9-11,17H,2-8H2,1H3
InChIKeyVVWNIICBSMSGRS-UHFFFAOYSA-N
XLogP1.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1,1-trifluorobutan-2-yl)cyclopropyl]-5-oxa-2,8-diazaspiro[3.5]nonane?
The IUPAC name of 2-[2-(1,1,1-trifluorobutan-2-yl)cyclopropyl]-5-oxa-2,8-diazaspiro[3.5]nonane (CID 155108100) is 2-[2-(1,1,1-trifluorobutan-2-yl)cyclopropyl]-5-oxa-2,8-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-[2-(1,1,1-trifluorobutan-2-yl)cyclopropyl]-5-oxa-2,8-diazaspiro[3.5]nonane?
The canonical SMILES for 2-[2-(1,1,1-trifluorobutan-2-yl)cyclopropyl]-5-oxa-2,8-diazaspiro[3.5]nonane is CCC(C1CC1N1CC2(CNCCO2)C1)C(F)(F)F.
What is the InChIKey of 2-[2-(1,1,1-trifluorobutan-2-yl)cyclopropyl]-5-oxa-2,8-diazaspiro[3.5]nonane?
The InChIKey is VVWNIICBSMSGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-2-10(13(14,15)16)9-5-11(9)18-7-12(8-18)6-17-3-4-19-12/h9-11,17H,2-8H2,1H3.
What are the key properties of 2-[2-(1,1,1-trifluorobutan-2-yl)cyclopropyl]-5-oxa-2,8-diazaspiro[3.5]nonane?
2-[2-(1,1,1-trifluorobutan-2-yl)cyclopropyl]-5-oxa-2,8-diazaspiro[3.5]nonane has a molecular weight of 278.32 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1,1-trifluorobutan-2-yl)cyclopropyl]-5-oxa-2,8-diazaspiro[3.5]nonane is sourced from PubChem (CID 155108100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).