1,1,1-trifluoro-3-(4,4,4-trifluorobutan-2-ylsulfanyl)butane

C8H12F6S — CID 87155190

IUPAC1,1,1-trifluoro-3-(4,4,4-trifluorobutan-2-ylsulfanyl)butane
SMILESCC(CC(F)(F)F)SC(C)CC(F)(F)F
InChIInChI=1S/C8H12F6S/c1-5(3-7(9,10)11)15-6(2)4-8(12,13)14/h5-6H,3-4H2,1-2H3
InChIKeyRZSSKOWKKZBYLQ-UHFFFAOYSA-N
MW254.24 g/mol
LogP4.40
Rot. Bonds4

About 1,1,1-trifluoro-3-(4,4,4-trifluorobutan-2-ylsulfanyl)butane

1,1,1-trifluoro-3-(4,4,4-trifluorobutan-2-ylsulfanyl)butane (PubChem CID 87155190) has the molecular formula C8H12F6S and a molecular weight of 254.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(4,4,4-trifluorobutan-2-ylsulfanyl)butane.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(4,4,4-trifluorobutan-2-ylsulfanyl)butane
PubChem CID87155190
Molecular FormulaC8H12F6S
Molecular Weight254.24 g/mol
Exact Mass254.06
IUPAC Name1,1,1-trifluoro-3-(4,4,4-trifluorobutan-2-ylsulfanyl)butane
SMILESCC(CC(F)(F)F)SC(C)CC(F)(F)F
InChIInChI=1S/C8H12F6S/c1-5(3-7(9,10)11)15-6(2)4-8(12,13)14/h5-6H,3-4H2,1-2H3
InChIKeyRZSSKOWKKZBYLQ-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 95036326
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1,1,1-trifluoro-3-methylpentane
CID 21020397
(3R)-1,1,1-trifluoro-4,4-dimethyl-3-propan-2-ylpentane
CID 146228126
1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropyldisulfanyl)propane
CID 88585021
6,6,6-trifluorohexane-2,4-diamine
CID 118321950
3-ethyl-1,1,1-trifluoro-4-methylhexane
CID 147184105
2-(fluoromethylsulfanyl)butane
CID 139914131
dimethoxy(4,4,4-trifluorobutan-2-yl)silane
CID 123462688
(6R)-1,1,1-trifluoro-3,6,7-trimethyloctane
CID 126748355
1,2,3,4,5-pentafluoro-6-[3,3,3-trifluoro-1-[3,3,3-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)propyl]sulfanylpropyl]benzene
CID 87128445
2-chloro-1,1,1-trifluoroethane;2-methylpropane
CID 161109938

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(4,4,4-trifluorobutan-2-ylsulfanyl)butane?
The IUPAC name of 1,1,1-trifluoro-3-(4,4,4-trifluorobutan-2-ylsulfanyl)butane (CID 87155190) is 1,1,1-trifluoro-3-(4,4,4-trifluorobutan-2-ylsulfanyl)butane.
What is the SMILES notation for 1,1,1-trifluoro-3-(4,4,4-trifluorobutan-2-ylsulfanyl)butane?
The canonical SMILES for 1,1,1-trifluoro-3-(4,4,4-trifluorobutan-2-ylsulfanyl)butane is CC(CC(F)(F)F)SC(C)CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(4,4,4-trifluorobutan-2-ylsulfanyl)butane?
The InChIKey is RZSSKOWKKZBYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6S/c1-5(3-7(9,10)11)15-6(2)4-8(12,13)14/h5-6H,3-4H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-(4,4,4-trifluorobutan-2-ylsulfanyl)butane?
1,1,1-trifluoro-3-(4,4,4-trifluorobutan-2-ylsulfanyl)butane has a molecular weight of 254.24 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(4,4,4-trifluorobutan-2-ylsulfanyl)butane is sourced from PubChem (CID 87155190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).