N-[1-(trifluoromethyl)cyclopropyl]-1,4-dioxaspiro[4.5]decan-8-amine

C12H18F3NO2 — CID 114158706

IUPACN-[1-(trifluoromethyl)cyclopropyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESFC(F)(F)C1(NC2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C12H18F3NO2/c13-12(14,15)10(5-6-10)16-9-1-3-11(4-2-9)17-7-8-18-11/h9,16H,1-8H2
InChIKeyBTVAIFIQDAFJNY-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.36
Rot. Bonds2

About N-[1-(trifluoromethyl)cyclopropyl]-1,4-dioxaspiro[4.5]decan-8-amine

N-[1-(trifluoromethyl)cyclopropyl]-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 114158706) has the molecular formula C12H18F3NO2 and a molecular weight of 265.27 g/mol. Its IUPAC name is N-[1-(trifluoromethyl)cyclopropyl]-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[1-(trifluoromethyl)cyclopropyl]-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID114158706
Molecular FormulaC12H18F3NO2
Molecular Weight265.27 g/mol
Exact Mass265.13
IUPAC NameN-[1-(trifluoromethyl)cyclopropyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESFC(F)(F)C1(NC2CCC3(CC2)OCCO3)CC1
InChIInChI=1S/C12H18F3NO2/c13-12(14,15)10(5-6-10)16-9-1-3-11(4-2-9)17-7-8-18-11/h9,16H,1-8H2
InChIKeyBTVAIFIQDAFJNY-UHFFFAOYSA-N
XLogP2.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]-1,4-dioxaspiro[4.5]decan-8-amine (CID 114158706) is N-[1-(trifluoromethyl)cyclopropyl]-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-[1-(trifluoromethyl)cyclopropyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-[1-(trifluoromethyl)cyclopropyl]-1,4-dioxaspiro[4.5]decan-8-amine is FC(F)(F)C1(NC2CCC3(CC2)OCCO3)CC1.
What is the InChIKey of N-[1-(trifluoromethyl)cyclopropyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is BTVAIFIQDAFJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO2/c13-12(14,15)10(5-6-10)16-9-1-3-11(4-2-9)17-7-8-18-11/h9,16H,1-8H2.
What are the key properties of N-[1-(trifluoromethyl)cyclopropyl]-1,4-dioxaspiro[4.5]decan-8-amine?
N-[1-(trifluoromethyl)cyclopropyl]-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 265.27 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(trifluoromethyl)cyclopropyl]-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 114158706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).