2,2-difluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)propan-1-ol

C11H19F2NO2S — CID 106176597

IUPAC2,2-difluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)propan-1-ol
SMILESOCC(F)(F)CNC1CCOC2(CCSC2)C1
InChIInChI=1S/C11H19F2NO2S/c12-11(13,7-15)6-14-9-1-3-16-10(5-9)2-4-17-8-10/h9,14-15H,1-8H2
InChIKeyCWJNRDWZTWCGQM-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.26
Rot. Bonds4

About 2,2-difluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)propan-1-ol

2,2-difluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)propan-1-ol (PubChem CID 106176597) has the molecular formula C11H19F2NO2S and a molecular weight of 267.34 g/mol. Its IUPAC name is 2,2-difluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)propan-1-ol
PubChem CID106176597
Molecular FormulaC11H19F2NO2S
Molecular Weight267.34 g/mol
Exact Mass267.11
IUPAC Name2,2-difluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)propan-1-ol
SMILESOCC(F)(F)CNC1CCOC2(CCSC2)C1
InChIInChI=1S/C11H19F2NO2S/c12-11(13,7-15)6-14-9-1-3-16-10(5-9)2-4-17-8-10/h9,14-15H,1-8H2
InChIKeyCWJNRDWZTWCGQM-UHFFFAOYSA-N
XLogP1.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluoro-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-1-ol
CID 106176373
2-ethyl-2-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butan-1-ol
CID 79903949
N-[(1-methylcyclopropyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 107166637
3-methyl-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)butan-1-ol
CID 79903700
N-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 97015873
N-(3,3,3-trifluoropropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903035
[4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)oxan-4-yl]methanol
CID 106297981
N-[(4-ethylcyclohexyl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895635
3-[(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)methyl]hexan-1-ol
CID 106115395
1-cyclooctyl-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea
CID 97234883
1-cycloheptyl-3-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]urea
CID 97235483
N-(4-methylpentyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895208

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)propan-1-ol (CID 106176597) is 2,2-difluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)propan-1-ol is OCC(F)(F)CNC1CCOC2(CCSC2)C1.
What is the InChIKey of 2,2-difluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)propan-1-ol?
The InChIKey is CWJNRDWZTWCGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2S/c12-11(13,7-15)6-14-9-1-3-16-10(5-9)2-4-17-8-10/h9,14-15H,1-8H2.
What are the key properties of 2,2-difluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)propan-1-ol?
2,2-difluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)propan-1-ol has a molecular weight of 267.34 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)propan-1-ol is sourced from PubChem (CID 106176597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).