1-(difluoromethylsulfanyl)-2-methylpropane

C5H10F2S — CID 59617990

IUPAC1-(difluoromethylsulfanyl)-2-methylpropane
SMILESCC(C)CSC(F)F
InChIInChI=1S/C5H10F2S/c1-4(2)3-8-5(6)7/h4-5H,3H2,1-2H3
InChIKeyYERKVSYYEOOXQG-UHFFFAOYSA-N
MW140.20 g/mol
LogP2.60
Rot. Bonds3

About 1-(difluoromethylsulfanyl)-2-methylpropane

1-(difluoromethylsulfanyl)-2-methylpropane (PubChem CID 59617990) has the molecular formula C5H10F2S and a molecular weight of 140.20 g/mol. Its IUPAC name is 1-(difluoromethylsulfanyl)-2-methylpropane.

Molecular Properties

Compound Name1-(difluoromethylsulfanyl)-2-methylpropane
PubChem CID59617990
Molecular FormulaC5H10F2S
Molecular Weight140.20 g/mol
Exact Mass140.05
IUPAC Name1-(difluoromethylsulfanyl)-2-methylpropane
SMILESCC(C)CSC(F)F
InChIInChI=1S/C5H10F2S/c1-4(2)3-8-5(6)7/h4-5H,3H2,1-2H3
InChIKeyYERKVSYYEOOXQG-UHFFFAOYSA-N
XLogP2.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.20
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfanyl)-2-methylpropane?
The IUPAC name of 1-(difluoromethylsulfanyl)-2-methylpropane (CID 59617990) is 1-(difluoromethylsulfanyl)-2-methylpropane.
What is the SMILES notation for 1-(difluoromethylsulfanyl)-2-methylpropane?
The canonical SMILES for 1-(difluoromethylsulfanyl)-2-methylpropane is CC(C)CSC(F)F.
What is the InChIKey of 1-(difluoromethylsulfanyl)-2-methylpropane?
The InChIKey is YERKVSYYEOOXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2S/c1-4(2)3-8-5(6)7/h4-5H,3H2,1-2H3.
What are the key properties of 1-(difluoromethylsulfanyl)-2-methylpropane?
1-(difluoromethylsulfanyl)-2-methylpropane has a molecular weight of 140.20 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfanyl)-2-methylpropane is sourced from PubChem (CID 59617990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).