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

C12H20F3NOS — CID 79915154

IUPAC3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
SMILESNC(CC(F)(F)F)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C12H20F3NOS/c13-12(14,15)8-10(16)9-1-4-17-11(7-9)2-5-18-6-3-11/h9-10H,1-8,16H2
InChIKeyGISSBEFYGSCDKF-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.96
Rot. Bonds2

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

3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine (PubChem CID 79915154) has the molecular formula C12H20F3NOS and a molecular weight of 283.36 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
PubChem CID79915154
Molecular FormulaC12H20F3NOS
Molecular Weight283.36 g/mol
Exact Mass283.12
IUPAC Name3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
SMILESNC(CC(F)(F)F)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C12H20F3NOS/c13-12(14,15)8-10(16)9-1-4-17-11(7-9)2-5-18-6-3-11/h9-10H,1-8,16H2
InChIKeyGISSBEFYGSCDKF-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2,2-trifluoroethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79898037
N-(3,3,3-trifluoropropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903035
3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylpropan-1-amine
CID 79908395
3,3,3-trifluoro-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine
CID 79914073
3,3,3-trifluoro-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914175
N-ethyl-3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine
CID 79914733
N-ethyl-3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914823
3,3,3-Trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-amine
CID 79915035
3,3,3-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
CID 79915392
4,4,4-Trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine
CID 79953437
4,4,4-Trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79953438
N-ethyl-4,4,4-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine
CID 79953928

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine (CID 79915154) is 3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine is NC(CC(F)(F)F)C1CCOC2(CCSCC2)C1.
What is the InChIKey of 3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine?
The InChIKey is GISSBEFYGSCDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NOS/c13-12(14,15)8-10(16)9-1-4-17-11(7-9)2-5-18-6-3-11/h9-10H,1-8,16H2.
What are the key properties of 3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine?
3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine has a molecular weight of 283.36 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine is sourced from PubChem (CID 79915154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).