2-fluorothiane

C5H9FS — CID 102251672

IUPAC2-fluorothiane
SMILESFC1CCCCS1
InChIInChI=1S/C5H9FS/c6-5-3-1-2-4-7-5/h5H,1-4H2
InChIKeyMHXRVTWQPDIJOE-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.20
Rot. Bonds

About 2-fluorothiane

2-fluorothiane (PubChem CID 102251672) has the molecular formula C5H9FS and a molecular weight of 120.19 g/mol. Its IUPAC name is 2-fluorothiane.

Molecular Properties

Compound Name2-fluorothiane
PubChem CID102251672
Molecular FormulaC5H9FS
Molecular Weight120.19 g/mol
Exact Mass120.04
IUPAC Name2-fluorothiane
SMILESFC1CCCCS1
InChIInChI=1S/C5H9FS/c6-5-3-1-2-4-7-5/h5H,1-4H2
InChIKeyMHXRVTWQPDIJOE-UHFFFAOYSA-N
XLogP2.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluorothiane?
The IUPAC name of 2-fluorothiane (CID 102251672) is 2-fluorothiane.
What is the SMILES notation for 2-fluorothiane?
The canonical SMILES for 2-fluorothiane is FC1CCCCS1.
What is the InChIKey of 2-fluorothiane?
The InChIKey is MHXRVTWQPDIJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FS/c6-5-3-1-2-4-7-5/h5H,1-4H2.
What are the key properties of 2-fluorothiane?
2-fluorothiane has a molecular weight of 120.19 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorothiane is sourced from PubChem (CID 102251672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).