2,2,3,4,4,5-hexafluoro-3-(trifluoromethyl)thiolane

C5HF9S — CID 87128764

IUPAC2,2,3,4,4,5-hexafluoro-3-(trifluoromethyl)thiolane
SMILESFC1SC(F)(F)C(F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C5HF9S/c6-1-2(7,8)3(9,4(10,11)12)5(13,14)15-1/h1H
InChIKeyLKXUCXXCOJFNDU-UHFFFAOYSA-N
MW264.11 g/mol
LogP3.53
Rot. Bonds

About 2,2,3,4,4,5-hexafluoro-3-(trifluoromethyl)thiolane

2,2,3,4,4,5-hexafluoro-3-(trifluoromethyl)thiolane (PubChem CID 87128764) has the molecular formula C5HF9S and a molecular weight of 264.11 g/mol. Its IUPAC name is 2,2,3,4,4,5-hexafluoro-3-(trifluoromethyl)thiolane.

Molecular Properties

Compound Name2,2,3,4,4,5-hexafluoro-3-(trifluoromethyl)thiolane
PubChem CID87128764
Molecular FormulaC5HF9S
Molecular Weight264.11 g/mol
Exact Mass263.97
IUPAC Name2,2,3,4,4,5-hexafluoro-3-(trifluoromethyl)thiolane
SMILESFC1SC(F)(F)C(F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C5HF9S/c6-1-2(7,8)3(9,4(10,11)12)5(13,14)15-1/h1H
InChIKeyLKXUCXXCOJFNDU-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,3,5-tetrafluoro-3-(trifluoromethyl)thiolane
CID 87128815
2,2,3-trifluorothiirane
CID 54324343
3-methyl-2,2-bis(trifluoromethyl)thiirane
CID 154309081
1,1,2,2,3,3,4,5-octafluoro-4,5-bis(trifluoromethyl)cyclopentane
CID 10247271
2,3,3,4,5-pentafluoro-4-methylthiolane
CID 87128738
3,5-diethyl-1,1,2-trifluoro-2-(trifluoromethyl)cyclopentane
CID 59378704
2,3,3,4-tetrafluoro-4-methylthiolane
CID 87128421
1,4-difluoro-1,2,2,3-tetrakis(trifluoromethyl)cyclobutane
CID 155155925
1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-(trifluoromethyl)indene
CID 22508282
(4aR,8R,8aR)-1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8a-heptadecafluoro-8-(trifluoromethyl)naphthalene
CID 76965921
(4aR,7R,8aS)-1,1,2,2,3,3,4,4,4a,5,5,6,6,7,8,8,8a-heptadecafluoro-7-(trifluoromethyl)naphthalene
CID 98966166
(4aR,8S,8aS)-1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8a-heptadecafluoro-8-(trifluoromethyl)naphthalene
CID 76965926

Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,4,5-hexafluoro-3-(trifluoromethyl)thiolane?
The IUPAC name of 2,2,3,4,4,5-hexafluoro-3-(trifluoromethyl)thiolane (CID 87128764) is 2,2,3,4,4,5-hexafluoro-3-(trifluoromethyl)thiolane.
What is the SMILES notation for 2,2,3,4,4,5-hexafluoro-3-(trifluoromethyl)thiolane?
The canonical SMILES for 2,2,3,4,4,5-hexafluoro-3-(trifluoromethyl)thiolane is FC1SC(F)(F)C(F)(C(F)(F)F)C1(F)F.
What is the InChIKey of 2,2,3,4,4,5-hexafluoro-3-(trifluoromethyl)thiolane?
The InChIKey is LKXUCXXCOJFNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF9S/c6-1-2(7,8)3(9,4(10,11)12)5(13,14)15-1/h1H.
What are the key properties of 2,2,3,4,4,5-hexafluoro-3-(trifluoromethyl)thiolane?
2,2,3,4,4,5-hexafluoro-3-(trifluoromethyl)thiolane has a molecular weight of 264.11 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,4,5-hexafluoro-3-(trifluoromethyl)thiolane is sourced from PubChem (CID 87128764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).