3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-2-(trifluoromethyl)propan-1-amine

C13H19F6NO — CID 103312175

IUPAC3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-2-(trifluoromethyl)propan-1-amine
SMILESNC(C1CCOC2(CCCC2)C1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H19F6NO/c14-12(15,16)10(13(17,18)19)9(20)8-3-6-21-11(7-8)4-1-2-5-11/h8-10H,1-7,20H2
InChIKeyKLOHAWLRWPOZCS-UHFFFAOYSA-N
MW319.29 g/mol
LogP3.79
Rot. Bonds2

About 3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-2-(trifluoromethyl)propan-1-amine

3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-2-(trifluoromethyl)propan-1-amine (PubChem CID 103312175) has the molecular formula C13H19F6NO and a molecular weight of 319.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-2-(trifluoromethyl)propan-1-amine
PubChem CID103312175
Molecular FormulaC13H19F6NO
Molecular Weight319.29 g/mol
Exact Mass319.14
IUPAC Name3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-2-(trifluoromethyl)propan-1-amine
SMILESNC(C1CCOC2(CCCC2)C1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H19F6NO/c14-12(15,16)10(13(17,18)19)9(20)8-3-6-21-11(7-8)4-1-2-5-11/h8-10H,1-7,20H2
InChIKeyKLOHAWLRWPOZCS-UHFFFAOYSA-N
XLogP3.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-2-(trifluoromethyl)propan-1-amine (CID 103312175) is 3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-2-(trifluoromethyl)propan-1-amine is NC(C1CCOC2(CCCC2)C1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-2-(trifluoromethyl)propan-1-amine?
The InChIKey is KLOHAWLRWPOZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F6NO/c14-12(15,16)10(13(17,18)19)9(20)8-3-6-21-11(7-8)4-1-2-5-11/h8-10H,1-7,20H2.
What are the key properties of 3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-2-(trifluoromethyl)propan-1-amine?
3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-2-(trifluoromethyl)propan-1-amine has a molecular weight of 319.29 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103312175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).