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

C5H5F5S — CID 66730207

IUPAC2,2,4,4-tetrafluoro-3-(fluoromethyl)thiolane
SMILESFCC1C(F)(F)CSC1(F)F
InChIInChI=1S/C5H5F5S/c6-1-3-4(7,8)2-11-5(3,9)10/h3H,1-2H2
InChIKeyDYWSSNANCRERFF-UHFFFAOYSA-N
MW192.15 g/mol
LogP2.55
Rot. Bonds1

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

2,2,4,4-tetrafluoro-3-(fluoromethyl)thiolane (PubChem CID 66730207) has the molecular formula C5H5F5S and a molecular weight of 192.15 g/mol. Its IUPAC name is 2,2,4,4-tetrafluoro-3-(fluoromethyl)thiolane.

Molecular Properties

Compound Name2,2,4,4-tetrafluoro-3-(fluoromethyl)thiolane
PubChem CID66730207
Molecular FormulaC5H5F5S
Molecular Weight192.15 g/mol
Exact Mass192.00
IUPAC Name2,2,4,4-tetrafluoro-3-(fluoromethyl)thiolane
SMILESFCC1C(F)(F)CSC1(F)F
InChIInChI=1S/C5H5F5S/c6-1-3-4(7,8)2-11-5(3,9)10/h3H,1-2H2
InChIKeyDYWSSNANCRERFF-UHFFFAOYSA-N
XLogP2.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.15
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluorocyclopropane-1-carbonitrile
CID 11672662
2,2,3-trifluorothiirane
CID 54324343
2,2,3,3,4,4,6,6,7,7-decafluoro-5-(fluoromethyl)-1-(trifluoromethyl)azepane
CID 130266502
2,3,3-trifluoro-4-(fluoromethyl)thiolane
CID 66730128
cis-(1R,2R)-2-(fluoromethyl)cyclopropan-1-amine
CID 136589400
2-(fluoromethyl)cyclopropan-1-ol
CID 84715966
2-[(2,2-difluorocyclopropyl)methyl]thiolane-2-carbaldehyde
CID 164659814
2-(1-amino-2-fluoroethyl)-4,4-difluorocyclopentan-1-ol
CID 71743764
3-(fluoromethyl)dithiirane
CID 121366779
(2R)-2-ethyl-1,1-difluorocyclopropane
CID 123881327
[(1R)-2,2-difluorocyclopropyl]methanol
CID 7171885
2-(2,2-difluorocyclopropyl)acetyl chloride
CID 14458504

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetrafluoro-3-(fluoromethyl)thiolane?
The IUPAC name of 2,2,4,4-tetrafluoro-3-(fluoromethyl)thiolane (CID 66730207) is 2,2,4,4-tetrafluoro-3-(fluoromethyl)thiolane.
What is the SMILES notation for 2,2,4,4-tetrafluoro-3-(fluoromethyl)thiolane?
The canonical SMILES for 2,2,4,4-tetrafluoro-3-(fluoromethyl)thiolane is FCC1C(F)(F)CSC1(F)F.
What is the InChIKey of 2,2,4,4-tetrafluoro-3-(fluoromethyl)thiolane?
The InChIKey is DYWSSNANCRERFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F5S/c6-1-3-4(7,8)2-11-5(3,9)10/h3H,1-2H2.
What are the key properties of 2,2,4,4-tetrafluoro-3-(fluoromethyl)thiolane?
2,2,4,4-tetrafluoro-3-(fluoromethyl)thiolane has a molecular weight of 192.15 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetrafluoro-3-(fluoromethyl)thiolane is sourced from PubChem (CID 66730207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).