4-[(3,3-difluorocyclopentyl)methyl]thiolan-3-one

C10H14F2OS — CID 130487358

IUPAC4-[(3,3-difluorocyclopentyl)methyl]thiolan-3-one
SMILESO=C1CSCC1CC1CCC(F)(F)C1
InChIInChI=1S/C10H14F2OS/c11-10(12)2-1-7(4-10)3-8-5-14-6-9(8)13/h7-8H,1-6H2
InChIKeyFOUXQBZMWXNXCO-UHFFFAOYSA-N
MW220.28 g/mol
LogP2.74
Rot. Bonds2

About 4-[(3,3-difluorocyclopentyl)methyl]thiolan-3-one

4-[(3,3-difluorocyclopentyl)methyl]thiolan-3-one (PubChem CID 130487358) has the molecular formula C10H14F2OS and a molecular weight of 220.28 g/mol. Its IUPAC name is 4-[(3,3-difluorocyclopentyl)methyl]thiolan-3-one.

Molecular Properties

Compound Name4-[(3,3-difluorocyclopentyl)methyl]thiolan-3-one
PubChem CID130487358
Molecular FormulaC10H14F2OS
Molecular Weight220.28 g/mol
Exact Mass220.07
IUPAC Name4-[(3,3-difluorocyclopentyl)methyl]thiolan-3-one
SMILESO=C1CSCC1CC1CCC(F)(F)C1
InChIInChI=1S/C10H14F2OS/c11-10(12)2-1-7(4-10)3-8-5-14-6-9(8)13/h7-8H,1-6H2
InChIKeyFOUXQBZMWXNXCO-UHFFFAOYSA-N
XLogP2.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-5-(1,1,2,2,3,3,5,5,6,6,8,8,8-tridecafluorooctyl)thiolan-2-one
CID 138747037
3-Methyl-5-(1,1,4,4,5,5,8,8,8-nonafluorooctyl)thiolan-2-one
CID 157498628
3-Methyl-5-(1,1,3,3-tetrafluorobutyl)thiolan-2-one
CID 158047941
5-Propan-2-yl-2-(trifluoromethyl)thiolan-3-one
CID 174347965
1-Thiaspiro[4.4]nonan-6-one
CID 10931689
(2-Methylthiolan-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 81931833
(2-Methylthiolan-2-yl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 81931868
(4,4-Difluorocyclohexyl)-(2-methylthiolan-2-yl)methanone
CID 81931869
Thiolan-2-yl-[4-(trifluoromethyl)cyclohexyl]methanone
CID 81931991
Thiolan-2-yl-[3-(trifluoromethyl)cyclohexyl]methanone
CID 81931992
(4,4-Difluorocyclohexyl)-(thiolan-2-yl)methanone
CID 81932019
4-(4,4,4-Trifluorobutyl)thiolan-3-one
CID 83196589

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-difluorocyclopentyl)methyl]thiolan-3-one?
The IUPAC name of 4-[(3,3-difluorocyclopentyl)methyl]thiolan-3-one (CID 130487358) is 4-[(3,3-difluorocyclopentyl)methyl]thiolan-3-one.
What is the SMILES notation for 4-[(3,3-difluorocyclopentyl)methyl]thiolan-3-one?
The canonical SMILES for 4-[(3,3-difluorocyclopentyl)methyl]thiolan-3-one is O=C1CSCC1CC1CCC(F)(F)C1.
What is the InChIKey of 4-[(3,3-difluorocyclopentyl)methyl]thiolan-3-one?
The InChIKey is FOUXQBZMWXNXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2OS/c11-10(12)2-1-7(4-10)3-8-5-14-6-9(8)13/h7-8H,1-6H2.
What are the key properties of 4-[(3,3-difluorocyclopentyl)methyl]thiolan-3-one?
4-[(3,3-difluorocyclopentyl)methyl]thiolan-3-one has a molecular weight of 220.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-difluorocyclopentyl)methyl]thiolan-3-one is sourced from PubChem (CID 130487358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).