4,4,4-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine

C12H20F3NOS — CID 79953437

IUPAC4,4,4-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine
SMILESNC(CCC(F)(F)F)C1CCOC2(CCSC2)C1
InChIInChI=1S/C12H20F3NOS/c13-12(14,15)3-1-10(16)9-2-5-17-11(7-9)4-6-18-8-11/h9-10H,1-8,16H2
InChIKeySVGHFVYYQZRZIW-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.96
Rot. Bonds3

About 4,4,4-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine

4,4,4-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine (PubChem CID 79953437) has the molecular formula C12H20F3NOS and a molecular weight of 283.36 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine
PubChem CID79953437
Molecular FormulaC12H20F3NOS
Molecular Weight283.36 g/mol
Exact Mass283.12
IUPAC Name4,4,4-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine
SMILESNC(CCC(F)(F)F)C1CCOC2(CCSC2)C1
InChIInChI=1S/C12H20F3NOS/c13-12(14,15)3-1-10(16)9-2-5-17-11(7-9)4-6-18-8-11/h9-10H,1-8,16H2
InChIKeySVGHFVYYQZRZIW-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine (CID 79953437) is 4,4,4-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine is NC(CCC(F)(F)F)C1CCOC2(CCSC2)C1.
What is the InChIKey of 4,4,4-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine?
The InChIKey is SVGHFVYYQZRZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NOS/c13-12(14,15)3-1-10(16)9-2-5-17-11(7-9)4-6-18-8-11/h9-10H,1-8,16H2.
What are the key properties of 4,4,4-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine?
4,4,4-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine has a molecular weight of 283.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine is sourced from PubChem (CID 79953437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).