1,1,1-trifluoro-2-(trifluoromethyl)-2-[[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]disulfanyl]butane

C10H10F12S2 — CID 87130064

IUPAC1,1,1-trifluoro-2-(trifluoromethyl)-2-[[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]disulfanyl]butane
SMILESCCC(SSC(CC)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F12S2/c1-3-5(7(11,12)13,8(14,15)16)23-24-6(4-2,9(17,18)19)10(20,21)22/h3-4H2,1-2H3
InChIKeyFZCLPEJXUXEKMO-UHFFFAOYSA-N
MW422.30 g/mol
LogP6.91
Rot. Bonds5

About 1,1,1-trifluoro-2-(trifluoromethyl)-2-[[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]disulfanyl]butane

1,1,1-trifluoro-2-(trifluoromethyl)-2-[[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]disulfanyl]butane (PubChem CID 87130064) has the molecular formula C10H10F12S2 and a molecular weight of 422.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(trifluoromethyl)-2-[[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]disulfanyl]butane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(trifluoromethyl)-2-[[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]disulfanyl]butane
PubChem CID87130064
Molecular FormulaC10H10F12S2
Molecular Weight422.30 g/mol
Exact Mass422.00
IUPAC Name1,1,1-trifluoro-2-(trifluoromethyl)-2-[[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]disulfanyl]butane
SMILESCCC(SSC(CC)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F12S2/c1-3-5(7(11,12)13,8(14,15)16)23-24-6(4-2,9(17,18)19)10(20,21)22/h3-4H2,1-2H3
InChIKeyFZCLPEJXUXEKMO-UHFFFAOYSA-N
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.30
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(trifluoromethyl)-2-[[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]disulfanyl]butane?
The IUPAC name of 1,1,1-trifluoro-2-(trifluoromethyl)-2-[[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]disulfanyl]butane (CID 87130064) is 1,1,1-trifluoro-2-(trifluoromethyl)-2-[[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]disulfanyl]butane.
What is the SMILES notation for 1,1,1-trifluoro-2-(trifluoromethyl)-2-[[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]disulfanyl]butane?
The canonical SMILES for 1,1,1-trifluoro-2-(trifluoromethyl)-2-[[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]disulfanyl]butane is CCC(SSC(CC)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(trifluoromethyl)-2-[[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]disulfanyl]butane?
The InChIKey is FZCLPEJXUXEKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F12S2/c1-3-5(7(11,12)13,8(14,15)16)23-24-6(4-2,9(17,18)19)10(20,21)22/h3-4H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(trifluoromethyl)-2-[[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]disulfanyl]butane?
1,1,1-trifluoro-2-(trifluoromethyl)-2-[[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]disulfanyl]butane has a molecular weight of 422.30 g/mol, XLogP of 6.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(trifluoromethyl)-2-[[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]disulfanyl]butane is sourced from PubChem (CID 87130064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).