4-(difluoromethyl)-2-(fluoromethyl)thiolane

C6H9F3S — CID 67290032

IUPAC4-(difluoromethyl)-2-(fluoromethyl)thiolane
SMILESFCC1CC(C(F)F)CS1
InChIInChI=1S/C6H9F3S/c7-2-5-1-4(3-10-5)6(8)9/h4-6H,1-3H2
InChIKeyCKSUHTCYXHQNEN-UHFFFAOYSA-N
MW170.20 g/mol
LogP2.34
Rot. Bonds2

About 4-(difluoromethyl)-2-(fluoromethyl)thiolane

4-(difluoromethyl)-2-(fluoromethyl)thiolane (PubChem CID 67290032) has the molecular formula C6H9F3S and a molecular weight of 170.20 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-(fluoromethyl)thiolane.

Molecular Properties

Compound Name4-(difluoromethyl)-2-(fluoromethyl)thiolane
PubChem CID67290032
Molecular FormulaC6H9F3S
Molecular Weight170.20 g/mol
Exact Mass170.04
IUPAC Name4-(difluoromethyl)-2-(fluoromethyl)thiolane
SMILESFCC1CC(C(F)F)CS1
InChIInChI=1S/C6H9F3S/c7-2-5-1-4(3-10-5)6(8)9/h4-6H,1-3H2
InChIKeyCKSUHTCYXHQNEN-UHFFFAOYSA-N
XLogP2.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.20
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-(fluoromethyl)thiolane?
The IUPAC name of 4-(difluoromethyl)-2-(fluoromethyl)thiolane (CID 67290032) is 4-(difluoromethyl)-2-(fluoromethyl)thiolane.
What is the SMILES notation for 4-(difluoromethyl)-2-(fluoromethyl)thiolane?
The canonical SMILES for 4-(difluoromethyl)-2-(fluoromethyl)thiolane is FCC1CC(C(F)F)CS1.
What is the InChIKey of 4-(difluoromethyl)-2-(fluoromethyl)thiolane?
The InChIKey is CKSUHTCYXHQNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3S/c7-2-5-1-4(3-10-5)6(8)9/h4-6H,1-3H2.
What are the key properties of 4-(difluoromethyl)-2-(fluoromethyl)thiolane?
4-(difluoromethyl)-2-(fluoromethyl)thiolane has a molecular weight of 170.20 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-(fluoromethyl)thiolane is sourced from PubChem (CID 67290032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).