3,3,3-trifluoro-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine

C13H22F3NOS — CID 79914175

IUPAC3,3,3-trifluoro-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
SMILESCNC(CC(F)(F)F)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C13H22F3NOS/c1-17-11(9-13(14,15)16)10-2-5-18-12(8-10)3-6-19-7-4-12/h10-11,17H,2-9H2,1H3
InChIKeyAPEZJBKBCBDXOG-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.22
Rot. Bonds3

About 3,3,3-trifluoro-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine

3,3,3-trifluoro-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine (PubChem CID 79914175) has the molecular formula C13H22F3NOS and a molecular weight of 297.39 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
PubChem CID79914175
Molecular FormulaC13H22F3NOS
Molecular Weight297.39 g/mol
Exact Mass297.14
IUPAC Name3,3,3-trifluoro-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
SMILESCNC(CC(F)(F)F)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C13H22F3NOS/c1-17-11(9-13(14,15)16)10-2-5-18-12(8-10)3-6-19-7-4-12/h10-11,17H,2-9H2,1H3
InChIKeyAPEZJBKBCBDXOG-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine (CID 79914175) is 3,3,3-trifluoro-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine is CNC(CC(F)(F)F)C1CCOC2(CCSCC2)C1.
What is the InChIKey of 3,3,3-trifluoro-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine?
The InChIKey is APEZJBKBCBDXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NOS/c1-17-11(9-13(14,15)16)10-2-5-18-12(8-10)3-6-19-7-4-12/h10-11,17H,2-9H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine?
3,3,3-trifluoro-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine has a molecular weight of 297.39 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine is sourced from PubChem (CID 79914175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).