N-[3-(trifluoromethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decan-8-amine

C15H24F3NO2 — CID 43747449

IUPACN-[3-(trifluoromethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESFC(F)(F)C1CCCC(NC2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C15H24F3NO2/c16-15(17,18)11-2-1-3-13(10-11)19-12-4-6-14(7-5-12)20-8-9-21-14/h11-13,19H,1-10H2
InChIKeyCJDZVWRECYXUKC-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.38
Rot. Bonds2

About N-[3-(trifluoromethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decan-8-amine

N-[3-(trifluoromethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 43747449) has the molecular formula C15H24F3NO2 and a molecular weight of 307.36 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID43747449
Molecular FormulaC15H24F3NO2
Molecular Weight307.36 g/mol
Exact Mass307.18
IUPAC NameN-[3-(trifluoromethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESFC(F)(F)C1CCCC(NC2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C15H24F3NO2/c16-15(17,18)11-2-1-3-13(10-11)19-12-4-6-14(7-5-12)20-8-9-21-14/h11-13,19H,1-10H2
InChIKeyCJDZVWRECYXUKC-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-[3-(trifluoromethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decan-8-amine (CID 43747449) is N-[3-(trifluoromethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-[3-(trifluoromethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-[3-(trifluoromethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decan-8-amine is FC(F)(F)C1CCCC(NC2CCC3(CC2)OCCO3)C1.
What is the InChIKey of N-[3-(trifluoromethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is CJDZVWRECYXUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3NO2/c16-15(17,18)11-2-1-3-13(10-11)19-12-4-6-14(7-5-12)20-8-9-21-14/h11-13,19H,1-10H2.
What are the key properties of N-[3-(trifluoromethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decan-8-amine?
N-[3-(trifluoromethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 307.36 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)cyclohexyl]-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 43747449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).