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

C15H18F3NO2 — CID 29279291

IUPACN-[4-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESFC(F)(F)c1ccc(NC2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)11-1-3-12(4-2-11)19-13-5-7-14(8-6-13)20-9-10-21-14/h1-4,13,19H,5-10H2
InChIKeyVEAOBPFATKTWSU-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.80
Rot. Bonds2

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

N-[4-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 29279291) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID29279291
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC NameN-[4-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-8-amine
SMILESFC(F)(F)c1ccc(NC2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)11-1-3-12(4-2-11)19-13-5-7-14(8-6-13)20-9-10-21-14/h1-4,13,19H,5-10H2
InChIKeyVEAOBPFATKTWSU-UHFFFAOYSA-N
XLogP3.80
TPSA30.49 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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 82794364
9-(1-phenylethenyl)-N-[4-(trifluoromethyl)phenyl]-7,8,12-trioxaspiro[5.6]dodecan-3-amine
CID 44580293
N-[4-(trifluoromethyl)phenyl]piperidin-1-ium-4-amine
CID 7148700
3-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 47054431
N-(1,4-dioxaspiro[4.5]decan-8-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 84583285
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-indazol-5-amine
CID 43690947
N-(3-bromo-4-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 63332921
N-[4-(aminomethyl)cyclohexyl]-4-(trifluoromethyl)aniline
CID 167459576
N-(2,3-dihydro-1-benzofuran-5-yl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43732753
2-chloro-5-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzoic acid
CID 43736297
N-(4-bromo-3-methoxyphenyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 82857353
N-[4-(trifluoromethyl)phenyl]thiolan-3-amine
CID 43192848

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-8-amine (CID 29279291) is N-[4-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-8-amine is FC(F)(F)c1ccc(NC2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is VEAOBPFATKTWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c16-15(17,18)11-1-3-12(4-2-11)19-13-5-7-14(8-6-13)20-9-10-21-14/h1-4,13,19H,5-10H2.
What are the key properties of N-[4-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-8-amine?
N-[4-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 301.31 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 29279291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).