1-fluoro-3,3,5-trimethyl-5-methylsulfanyloxyhexane

C10H21FOS — CID 123665613

IUPAC1-fluoro-3,3,5-trimethyl-5-methylsulfanyloxyhexane
SMILESCSOC(C)(C)CC(C)(C)CCF
InChIInChI=1S/C10H21FOS/c1-9(2,6-7-11)8-10(3,4)12-13-5/h6-8H2,1-5H3
InChIKeyFURAVVWEROFNSQ-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.84
Rot. Bonds6

About 1-fluoro-3,3,5-trimethyl-5-methylsulfanyloxyhexane

1-fluoro-3,3,5-trimethyl-5-methylsulfanyloxyhexane (PubChem CID 123665613) has the molecular formula C10H21FOS and a molecular weight of 208.34 g/mol. Its IUPAC name is 1-fluoro-3,3,5-trimethyl-5-methylsulfanyloxyhexane.

Molecular Properties

Compound Name1-fluoro-3,3,5-trimethyl-5-methylsulfanyloxyhexane
PubChem CID123665613
Molecular FormulaC10H21FOS
Molecular Weight208.34 g/mol
Exact Mass208.13
IUPAC Name1-fluoro-3,3,5-trimethyl-5-methylsulfanyloxyhexane
SMILESCSOC(C)(C)CC(C)(C)CCF
InChIInChI=1S/C10H21FOS/c1-9(2,6-7-11)8-10(3,4)12-13-5/h6-8H2,1-5H3
InChIKeyFURAVVWEROFNSQ-UHFFFAOYSA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2,2,4-trimethylpentan-1-amine
CID 131229444
1-bromo-3,3,5-trimethyl-5-[(2-methylpropan-2-yl)oxy]hexane
CID 129235269
3-methoxy-3-methyl-1-methylsulfanyloxybutane
CID 146569960
O-(4-amino-2-methylbutan-2-yl)hydroxylamine
CID 153346909
2-[3-(2-amino-1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-3-methylbutoxy]-2-methylpropan-1-amine
CID 135202365
4-fluoro-2,2-dimethylbutanenitrile
CID 126977208
2-methyl-2-(trifluoromethoxy)propan-1-amine
CID 130569950
4-fluoro-2,2-dimethylbutanal
CID 130704248
3-(aminomethyl)-5-fluoro-3-methylpentan-2-ol
CID 126977387
6-[6-(5-amino-2,4,4-trimethylpentan-2-yl)oxy-2,4,4,6-tetramethylheptan-2-yl]oxy-2,4,4,6-tetramethylheptan-2-amine
CID 144805334
2,4,4-trimethyl-2-sulfanyloxyhexane
CID 146614294
N-(4-fluoro-2,2-dimethylbutyl)-N-methylaniline
CID 155197841

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3,3,5-trimethyl-5-methylsulfanyloxyhexane?
The IUPAC name of 1-fluoro-3,3,5-trimethyl-5-methylsulfanyloxyhexane (CID 123665613) is 1-fluoro-3,3,5-trimethyl-5-methylsulfanyloxyhexane.
What is the SMILES notation for 1-fluoro-3,3,5-trimethyl-5-methylsulfanyloxyhexane?
The canonical SMILES for 1-fluoro-3,3,5-trimethyl-5-methylsulfanyloxyhexane is CSOC(C)(C)CC(C)(C)CCF.
What is the InChIKey of 1-fluoro-3,3,5-trimethyl-5-methylsulfanyloxyhexane?
The InChIKey is FURAVVWEROFNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FOS/c1-9(2,6-7-11)8-10(3,4)12-13-5/h6-8H2,1-5H3.
What are the key properties of 1-fluoro-3,3,5-trimethyl-5-methylsulfanyloxyhexane?
1-fluoro-3,3,5-trimethyl-5-methylsulfanyloxyhexane has a molecular weight of 208.34 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3,3,5-trimethyl-5-methylsulfanyloxyhexane is sourced from PubChem (CID 123665613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).