9-(2,2,2-trifluoroethoxy)nonane-1-thiol

C11H21F3OS — CID 71363525

IUPAC9-(2,2,2-trifluoroethoxy)nonane-1-thiol
SMILESFC(F)(F)COCCCCCCCCCS
InChIInChI=1S/C11H21F3OS/c12-11(13,14)10-15-8-6-4-2-1-3-5-7-9-16/h16H,1-10H2
InChIKeyJPLGBYWYNRYDCF-UHFFFAOYSA-N
MW258.35 g/mol
LogP4.23
Rot. Bonds10

About 9-(2,2,2-trifluoroethoxy)nonane-1-thiol

9-(2,2,2-trifluoroethoxy)nonane-1-thiol (PubChem CID 71363525) has the molecular formula C11H21F3OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 9-(2,2,2-trifluoroethoxy)nonane-1-thiol.

Molecular Properties

Compound Name9-(2,2,2-trifluoroethoxy)nonane-1-thiol
PubChem CID71363525
Molecular FormulaC11H21F3OS
Molecular Weight258.35 g/mol
Exact Mass258.13
IUPAC Name9-(2,2,2-trifluoroethoxy)nonane-1-thiol
SMILESFC(F)(F)COCCCCCCCCCS
InChIInChI=1S/C11H21F3OS/c12-11(13,14)10-15-8-6-4-2-1-3-5-7-9-16/h16H,1-10H2
InChIKeyJPLGBYWYNRYDCF-UHFFFAOYSA-N
XLogP4.23
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

11-[2-[2-[2-(3,3,3-trifluoropropoxy)ethoxy]ethoxy]ethoxy]undecane-1-thiol
CID 101457918
2-(2,2,2-trifluoroethoxy)ethanethiol
CID 61490314
1,3-bis(2,2,2-trifluoroethoxy)propane
CID 57255720
1,1,1-trifluoro-2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethane
CID 87282326
2-(6-sulfanylhexoxy)ethanol
CID 88540112
9-(2,2,2-trifluoroethoxy)nonan-4-one
CID 64502644
ethane;1-(2,2,2-trifluoroethoxy)butane
CID 170752039
1-bromo-8-(2,2,2-trifluoroethoxy)octan-4-one
CID 106798772
2-fluoro-12-(2,2,2-trifluoroethoxy)dodecan-1-ol
CID 139607930
9-[2-(3-methoxypropoxy)ethoxy]nonane-1-thiol
CID 103176254
6-(2,2,2-trifluoroethoxy)hexan-2-one
CID 43793499
3-(5-sulfanylpentoxy)propanal
CID 177265933

Frequently Asked Questions

What is the IUPAC name of 9-(2,2,2-trifluoroethoxy)nonane-1-thiol?
The IUPAC name of 9-(2,2,2-trifluoroethoxy)nonane-1-thiol (CID 71363525) is 9-(2,2,2-trifluoroethoxy)nonane-1-thiol.
What is the SMILES notation for 9-(2,2,2-trifluoroethoxy)nonane-1-thiol?
The canonical SMILES for 9-(2,2,2-trifluoroethoxy)nonane-1-thiol is FC(F)(F)COCCCCCCCCCS.
What is the InChIKey of 9-(2,2,2-trifluoroethoxy)nonane-1-thiol?
The InChIKey is JPLGBYWYNRYDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3OS/c12-11(13,14)10-15-8-6-4-2-1-3-5-7-9-16/h16H,1-10H2.
What are the key properties of 9-(2,2,2-trifluoroethoxy)nonane-1-thiol?
9-(2,2,2-trifluoroethoxy)nonane-1-thiol has a molecular weight of 258.35 g/mol, XLogP of 4.23, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,2,2-trifluoroethoxy)nonane-1-thiol is sourced from PubChem (CID 71363525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).