1-(difluoromethylsulfanyl)-2,2-dimethylpropane

C6H12F2S — CID 90326318

IUPAC1-(difluoromethylsulfanyl)-2,2-dimethylpropane
SMILESCC(C)(C)CSC(F)F
InChIInChI=1S/C6H12F2S/c1-6(2,3)4-9-5(7)8/h5H,4H2,1-3H3
InChIKeyRRFRPGSPQJZLPF-UHFFFAOYSA-N
MW154.22 g/mol
LogP2.99
Rot. Bonds2

About 1-(difluoromethylsulfanyl)-2,2-dimethylpropane

1-(difluoromethylsulfanyl)-2,2-dimethylpropane (PubChem CID 90326318) has the molecular formula C6H12F2S and a molecular weight of 154.22 g/mol. Its IUPAC name is 1-(difluoromethylsulfanyl)-2,2-dimethylpropane.

Molecular Properties

Compound Name1-(difluoromethylsulfanyl)-2,2-dimethylpropane
PubChem CID90326318
Molecular FormulaC6H12F2S
Molecular Weight154.22 g/mol
Exact Mass154.06
IUPAC Name1-(difluoromethylsulfanyl)-2,2-dimethylpropane
SMILESCC(C)(C)CSC(F)F
InChIInChI=1S/C6H12F2S/c1-6(2,3)4-9-5(7)8/h5H,4H2,1-3H3
InChIKeyRRFRPGSPQJZLPF-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfanyl)-2,2-dimethylpropane?
The IUPAC name of 1-(difluoromethylsulfanyl)-2,2-dimethylpropane (CID 90326318) is 1-(difluoromethylsulfanyl)-2,2-dimethylpropane.
What is the SMILES notation for 1-(difluoromethylsulfanyl)-2,2-dimethylpropane?
The canonical SMILES for 1-(difluoromethylsulfanyl)-2,2-dimethylpropane is CC(C)(C)CSC(F)F.
What is the InChIKey of 1-(difluoromethylsulfanyl)-2,2-dimethylpropane?
The InChIKey is RRFRPGSPQJZLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2S/c1-6(2,3)4-9-5(7)8/h5H,4H2,1-3H3.
What are the key properties of 1-(difluoromethylsulfanyl)-2,2-dimethylpropane?
1-(difluoromethylsulfanyl)-2,2-dimethylpropane has a molecular weight of 154.22 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfanyl)-2,2-dimethylpropane is sourced from PubChem (CID 90326318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).