2,6-dioxaspiro[4.5]decan-9-yl-(2,4,6-trifluorophenyl)methanamine

C15H18F3NO2 — CID 105017180

IUPAC2,6-dioxaspiro[4.5]decan-9-yl-(2,4,6-trifluorophenyl)methanamine
SMILESNC(c1c(F)cc(F)cc1F)C1CCOC2(CCOC2)C1
InChIInChI=1S/C15H18F3NO2/c16-10-5-11(17)13(12(18)6-10)14(19)9-1-3-21-15(7-9)2-4-20-8-15/h5-6,9,14H,1-4,7-8,19H2
InChIKeyOUOOGIDDXDXXSZ-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.69
Rot. Bonds2

About 2,6-dioxaspiro[4.5]decan-9-yl-(2,4,6-trifluorophenyl)methanamine

2,6-dioxaspiro[4.5]decan-9-yl-(2,4,6-trifluorophenyl)methanamine (PubChem CID 105017180) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 2,6-dioxaspiro[4.5]decan-9-yl-(2,4,6-trifluorophenyl)methanamine.

Molecular Properties

Compound Name2,6-dioxaspiro[4.5]decan-9-yl-(2,4,6-trifluorophenyl)methanamine
PubChem CID105017180
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name2,6-dioxaspiro[4.5]decan-9-yl-(2,4,6-trifluorophenyl)methanamine
SMILESNC(c1c(F)cc(F)cc1F)C1CCOC2(CCOC2)C1
InChIInChI=1S/C15H18F3NO2/c16-10-5-11(17)13(12(18)6-10)14(19)9-1-3-21-15(7-9)2-4-20-8-15/h5-6,9,14H,1-4,7-8,19H2
InChIKeyOUOOGIDDXDXXSZ-UHFFFAOYSA-N
XLogP2.69
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2,6-difluorophenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010389
2,6-dioxaspiro[4.5]decan-9-yl-(4-fluoro-3-methoxyphenyl)methanamine
CID 105017002
(2,6-dimethyl-4-pyridinyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 107503040
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 79914987
(3,5-difluorophenyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 79908412
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylsulfanylphenyl)methanamine
CID 105012149
2,6-dioxaspiro[4.5]decan-9-yl-(4-methylcyclohexyl)methanamine
CID 79914092
1-(4-bromo-3-fluorophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylmethanamine
CID 105017006
2,6-dioxaspiro[4.5]decan-9-yl-(4-fluoro-2-methylphenyl)methanol
CID 79912707
(1,3-dimethylpyrazol-4-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanamine
CID 102804203
(2,3-difluorophenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913258
(4-bromothiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
CID 79914594

Frequently Asked Questions

What is the IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(2,4,6-trifluorophenyl)methanamine?
The IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(2,4,6-trifluorophenyl)methanamine (CID 105017180) is 2,6-dioxaspiro[4.5]decan-9-yl-(2,4,6-trifluorophenyl)methanamine.
What is the SMILES notation for 2,6-dioxaspiro[4.5]decan-9-yl-(2,4,6-trifluorophenyl)methanamine?
The canonical SMILES for 2,6-dioxaspiro[4.5]decan-9-yl-(2,4,6-trifluorophenyl)methanamine is NC(c1c(F)cc(F)cc1F)C1CCOC2(CCOC2)C1.
What is the InChIKey of 2,6-dioxaspiro[4.5]decan-9-yl-(2,4,6-trifluorophenyl)methanamine?
The InChIKey is OUOOGIDDXDXXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c16-10-5-11(17)13(12(18)6-10)14(19)9-1-3-21-15(7-9)2-4-20-8-15/h5-6,9,14H,1-4,7-8,19H2.
What are the key properties of 2,6-dioxaspiro[4.5]decan-9-yl-(2,4,6-trifluorophenyl)methanamine?
2,6-dioxaspiro[4.5]decan-9-yl-(2,4,6-trifluorophenyl)methanamine has a molecular weight of 301.31 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxaspiro[4.5]decan-9-yl-(2,4,6-trifluorophenyl)methanamine is sourced from PubChem (CID 105017180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).