2,2,3-trifluoro-4-(fluoromethyl)thiolane

C5H6F4S — CID 66729846

IUPAC2,2,3-trifluoro-4-(fluoromethyl)thiolane
SMILESFCC1CSC(F)(F)C1F
InChIInChI=1S/C5H6F4S/c6-1-3-2-10-5(8,9)4(3)7/h3-4H,1-2H2
InChIKeyKLAXWZJJCSXDDV-UHFFFAOYSA-N
MW174.16 g/mol
LogP2.25
Rot. Bonds1

About 2,2,3-trifluoro-4-(fluoromethyl)thiolane

2,2,3-trifluoro-4-(fluoromethyl)thiolane (PubChem CID 66729846) has the molecular formula C5H6F4S and a molecular weight of 174.16 g/mol. Its IUPAC name is 2,2,3-trifluoro-4-(fluoromethyl)thiolane.

Molecular Properties

Compound Name2,2,3-trifluoro-4-(fluoromethyl)thiolane
PubChem CID66729846
Molecular FormulaC5H6F4S
Molecular Weight174.16 g/mol
Exact Mass174.01
IUPAC Name2,2,3-trifluoro-4-(fluoromethyl)thiolane
SMILESFCC1CSC(F)(F)C1F
InChIInChI=1S/C5H6F4S/c6-1-3-2-10-5(8,9)4(3)7/h3-4H,1-2H2
InChIKeyKLAXWZJJCSXDDV-UHFFFAOYSA-N
XLogP2.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluoro-4-(fluoromethyl)thiolane?
The IUPAC name of 2,2,3-trifluoro-4-(fluoromethyl)thiolane (CID 66729846) is 2,2,3-trifluoro-4-(fluoromethyl)thiolane.
What is the SMILES notation for 2,2,3-trifluoro-4-(fluoromethyl)thiolane?
The canonical SMILES for 2,2,3-trifluoro-4-(fluoromethyl)thiolane is FCC1CSC(F)(F)C1F.
What is the InChIKey of 2,2,3-trifluoro-4-(fluoromethyl)thiolane?
The InChIKey is KLAXWZJJCSXDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F4S/c6-1-3-2-10-5(8,9)4(3)7/h3-4H,1-2H2.
What are the key properties of 2,2,3-trifluoro-4-(fluoromethyl)thiolane?
2,2,3-trifluoro-4-(fluoromethyl)thiolane has a molecular weight of 174.16 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoro-4-(fluoromethyl)thiolane is sourced from PubChem (CID 66729846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).