N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine

C14H24F3NO — CID 66350529

IUPACN-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine
SMILESCCCNC1CC(OC(C)C(F)(F)F)C12CCCC2
InChIInChI=1S/C14H24F3NO/c1-3-8-18-11-9-12(13(11)6-4-5-7-13)19-10(2)14(15,16)17/h10-12,18H,3-9H2,1-2H3
InChIKeyJPDUEPVNTIEROF-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.65
Rot. Bonds5

About N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine

N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine (PubChem CID 66350529) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine.

Molecular Properties

Compound NameN-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine
PubChem CID66350529
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC NameN-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine
SMILESCCCNC1CC(OC(C)C(F)(F)F)C12CCCC2
InChIInChI=1S/C14H24F3NO/c1-3-8-18-11-9-12(13(11)6-4-5-7-13)19-10(2)14(15,16)17/h10-12,18H,3-9H2,1-2H3
InChIKeyJPDUEPVNTIEROF-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine?
The IUPAC name of N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine (CID 66350529) is N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine.
What is the SMILES notation for N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine?
The canonical SMILES for N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine is CCCNC1CC(OC(C)C(F)(F)F)C12CCCC2.
What is the InChIKey of N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine?
The InChIKey is JPDUEPVNTIEROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-3-8-18-11-9-12(13(11)6-4-5-7-13)19-10(2)14(15,16)17/h10-12,18H,3-9H2,1-2H3.
What are the key properties of N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine?
N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine has a molecular weight of 279.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine is sourced from PubChem (CID 66350529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).