N-propyl-7-(1,1,1-trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine

C14H24F3NO3 — CID 66276526

IUPACN-propyl-7-(1,1,1-trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCCNC1CCC2(CC1OC(C)C(F)(F)F)OCCO2
InChIInChI=1S/C14H24F3NO3/c1-3-6-18-11-4-5-13(19-7-8-20-13)9-12(11)21-10(2)14(15,16)17/h10-12,18H,3-9H2,1-2H3
InChIKeyZKRVVJFOQFERKO-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.62
Rot. Bonds5

About N-propyl-7-(1,1,1-trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine

N-propyl-7-(1,1,1-trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 66276526) has the molecular formula C14H24F3NO3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-propyl-7-(1,1,1-trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-propyl-7-(1,1,1-trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID66276526
Molecular FormulaC14H24F3NO3
Molecular Weight311.34 g/mol
Exact Mass311.17
IUPAC NameN-propyl-7-(1,1,1-trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCCNC1CCC2(CC1OC(C)C(F)(F)F)OCCO2
InChIInChI=1S/C14H24F3NO3/c1-3-6-18-11-4-5-13(19-7-8-20-13)9-12(11)21-10(2)14(15,16)17/h10-12,18H,3-9H2,1-2H3
InChIKeyZKRVVJFOQFERKO-UHFFFAOYSA-N
XLogP2.62
TPSA39.72 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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-7-(1,1,1-trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-propyl-7-(1,1,1-trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine (CID 66276526) is N-propyl-7-(1,1,1-trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-propyl-7-(1,1,1-trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-propyl-7-(1,1,1-trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine is CCCNC1CCC2(CC1OC(C)C(F)(F)F)OCCO2.
What is the InChIKey of N-propyl-7-(1,1,1-trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is ZKRVVJFOQFERKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO3/c1-3-6-18-11-4-5-13(19-7-8-20-13)9-12(11)21-10(2)14(15,16)17/h10-12,18H,3-9H2,1-2H3.
What are the key properties of N-propyl-7-(1,1,1-trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine?
N-propyl-7-(1,1,1-trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 311.34 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-7-(1,1,1-trifluoropropan-2-yloxy)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 66276526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).