3-fluoro-4-(fluoromethyl)thiolane

C5H8F2S — CID 66729876

IUPAC3-fluoro-4-(fluoromethyl)thiolane
SMILESFCC1CSCC1F
InChIInChI=1S/C5H8F2S/c6-1-4-2-8-3-5(4)7/h4-5H,1-3H2
InChIKeyNMVNWKNSMBAPRB-UHFFFAOYSA-N
MW138.18 g/mol
LogP1.66
Rot. Bonds1

About 3-fluoro-4-(fluoromethyl)thiolane

3-fluoro-4-(fluoromethyl)thiolane (PubChem CID 66729876) has the molecular formula C5H8F2S and a molecular weight of 138.18 g/mol. Its IUPAC name is 3-fluoro-4-(fluoromethyl)thiolane.

Molecular Properties

Compound Name3-fluoro-4-(fluoromethyl)thiolane
PubChem CID66729876
Molecular FormulaC5H8F2S
Molecular Weight138.18 g/mol
Exact Mass138.03
IUPAC Name3-fluoro-4-(fluoromethyl)thiolane
SMILESFCC1CSCC1F
InChIInChI=1S/C5H8F2S/c6-1-4-2-8-3-5(4)7/h4-5H,1-3H2
InChIKeyNMVNWKNSMBAPRB-UHFFFAOYSA-N
XLogP1.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.18
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(fluoromethyl)thiolane?
The IUPAC name of 3-fluoro-4-(fluoromethyl)thiolane (CID 66729876) is 3-fluoro-4-(fluoromethyl)thiolane.
What is the SMILES notation for 3-fluoro-4-(fluoromethyl)thiolane?
The canonical SMILES for 3-fluoro-4-(fluoromethyl)thiolane is FCC1CSCC1F.
What is the InChIKey of 3-fluoro-4-(fluoromethyl)thiolane?
The InChIKey is NMVNWKNSMBAPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2S/c6-1-4-2-8-3-5(4)7/h4-5H,1-3H2.
What are the key properties of 3-fluoro-4-(fluoromethyl)thiolane?
3-fluoro-4-(fluoromethyl)thiolane has a molecular weight of 138.18 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(fluoromethyl)thiolane is sourced from PubChem (CID 66729876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).