2-[(9R)-9-[3-(trifluoromethyl)phenyl]-6-oxaspiro[4.5]decan-9-yl]ethanamine

C18H24F3NO — CID 140624930

IUPAC2-[(9R)-9-[3-(trifluoromethyl)phenyl]-6-oxaspiro[4.5]decan-9-yl]ethanamine
SMILESNCC[C@@]1(c2cccc(C(F)(F)F)c2)CCOC2(CCCC2)C1
InChIInChI=1S/C18H24F3NO/c19-18(20,21)15-5-3-4-14(12-15)16(8-10-22)9-11-23-17(13-16)6-1-2-7-17/h3-5,12H,1-2,6-11,13,22H2/t16-/m1/s1
InChIKeyVDQSPQSRWGOJSO-MRXNPFEDSA-N
MW327.39 g/mol
LogP4.42
Rot. Bonds3

About 2-[(9R)-9-[3-(trifluoromethyl)phenyl]-6-oxaspiro[4.5]decan-9-yl]ethanamine

2-[(9R)-9-[3-(trifluoromethyl)phenyl]-6-oxaspiro[4.5]decan-9-yl]ethanamine (PubChem CID 140624930) has the molecular formula C18H24F3NO and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-[(9R)-9-[3-(trifluoromethyl)phenyl]-6-oxaspiro[4.5]decan-9-yl]ethanamine.

Molecular Properties

Compound Name2-[(9R)-9-[3-(trifluoromethyl)phenyl]-6-oxaspiro[4.5]decan-9-yl]ethanamine
PubChem CID140624930
Molecular FormulaC18H24F3NO
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name2-[(9R)-9-[3-(trifluoromethyl)phenyl]-6-oxaspiro[4.5]decan-9-yl]ethanamine
SMILESNCC[C@@]1(c2cccc(C(F)(F)F)c2)CCOC2(CCCC2)C1
InChIInChI=1S/C18H24F3NO/c19-18(20,21)15-5-3-4-14(12-15)16(8-10-22)9-11-23-17(13-16)6-1-2-7-17/h3-5,12H,1-2,6-11,13,22H2/t16-/m1/s1
InChIKeyVDQSPQSRWGOJSO-MRXNPFEDSA-N
XLogP4.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(9R)-9-[3-(trifluoromethyl)phenyl]-6-oxaspiro[4.5]decan-9-yl]ethanamine?
The IUPAC name of 2-[(9R)-9-[3-(trifluoromethyl)phenyl]-6-oxaspiro[4.5]decan-9-yl]ethanamine (CID 140624930) is 2-[(9R)-9-[3-(trifluoromethyl)phenyl]-6-oxaspiro[4.5]decan-9-yl]ethanamine.
What is the SMILES notation for 2-[(9R)-9-[3-(trifluoromethyl)phenyl]-6-oxaspiro[4.5]decan-9-yl]ethanamine?
The canonical SMILES for 2-[(9R)-9-[3-(trifluoromethyl)phenyl]-6-oxaspiro[4.5]decan-9-yl]ethanamine is NCC[C@@]1(c2cccc(C(F)(F)F)c2)CCOC2(CCCC2)C1.
What is the InChIKey of 2-[(9R)-9-[3-(trifluoromethyl)phenyl]-6-oxaspiro[4.5]decan-9-yl]ethanamine?
The InChIKey is VDQSPQSRWGOJSO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24F3NO/c19-18(20,21)15-5-3-4-14(12-15)16(8-10-22)9-11-23-17(13-16)6-1-2-7-17/h3-5,12H,1-2,6-11,13,22H2/t16-/m1/s1.
What are the key properties of 2-[(9R)-9-[3-(trifluoromethyl)phenyl]-6-oxaspiro[4.5]decan-9-yl]ethanamine?
2-[(9R)-9-[3-(trifluoromethyl)phenyl]-6-oxaspiro[4.5]decan-9-yl]ethanamine has a molecular weight of 327.39 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9R)-9-[3-(trifluoromethyl)phenyl]-6-oxaspiro[4.5]decan-9-yl]ethanamine is sourced from PubChem (CID 140624930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).