2,2-difluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine

C11H19F2NOS — CID 103516943

IUPAC2,2-difluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
SMILESNC(C(F)F)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C11H19F2NOS/c12-10(13)9(14)8-1-4-15-11(7-8)2-5-16-6-3-11/h8-10H,1-7,14H2
InChIKeyYHVXVLCGCFSRRJ-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.27
Rot. Bonds2

About 2,2-difluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine

2,2-difluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine (PubChem CID 103516943) has the molecular formula C11H19F2NOS and a molecular weight of 251.34 g/mol. Its IUPAC name is 2,2-difluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
PubChem CID103516943
Molecular FormulaC11H19F2NOS
Molecular Weight251.34 g/mol
Exact Mass251.12
IUPAC Name2,2-difluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
SMILESNC(C(F)F)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C11H19F2NOS/c12-10(13)9(14)8-1-4-15-11(7-8)2-5-16-6-3-11/h8-10H,1-7,14H2
InChIKeyYHVXVLCGCFSRRJ-UHFFFAOYSA-N
XLogP2.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine?
The IUPAC name of 2,2-difluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine (CID 103516943) is 2,2-difluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine.
What is the SMILES notation for 2,2-difluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine?
The canonical SMILES for 2,2-difluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine is NC(C(F)F)C1CCOC2(CCSCC2)C1.
What is the InChIKey of 2,2-difluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine?
The InChIKey is YHVXVLCGCFSRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NOS/c12-10(13)9(14)8-1-4-15-11(7-8)2-5-16-6-3-11/h8-10H,1-7,14H2.
What are the key properties of 2,2-difluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine?
2,2-difluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine has a molecular weight of 251.34 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine is sourced from PubChem (CID 103516943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).