1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

C14H24F3NO3 — CID 103148028

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESNC(CCOCC(F)(F)F)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H24F3NO3/c15-14(16,17)10-20-5-2-12(18)11-1-6-21-13(9-11)3-7-19-8-4-13/h11-12H,1-10,18H2
InChIKeyBDHXHUOWXDUZHH-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.26
Rot. Bonds5

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103148028) has the molecular formula C14H24F3NO3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103148028
Molecular FormulaC14H24F3NO3
Molecular Weight311.34 g/mol
Exact Mass311.17
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESNC(CCOCC(F)(F)F)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H24F3NO3/c15-14(16,17)10-20-5-2-12(18)11-1-6-21-13(9-11)3-7-19-8-4-13/h11-12H,1-10,18H2
InChIKeyBDHXHUOWXDUZHH-UHFFFAOYSA-N
XLogP2.26
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9,9-Difluoro-1-oxaspiro[5.5]undecan-4-amine hydrochloride
CID 165948659
9-(Trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 64756955
10-(Trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 64758459
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 79908396
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 79914271
1-(2,6-Dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoropropan-1-amine
CID 79914929
3,3,3-Trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914930
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 79914931
3,3,3-Trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 79915034
1-(1,9-Dioxaspiro[5.5]undecan-4-yl)-3,3,3-trifluoropropan-1-amine
CID 79915271
3,3,3-Trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
CID 79915272
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 79952847

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103148028) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is NC(CCOCC(F)(F)F)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is BDHXHUOWXDUZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO3/c15-14(16,17)10-20-5-2-12(18)11-1-6-21-13(9-11)3-7-19-8-4-13/h11-12H,1-10,18H2.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 311.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103148028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).