4-[(2,2-difluorocyclopentyl)methyl]thiolan-3-one

C10H14F2OS — CID 130934234

IUPAC4-[(2,2-difluorocyclopentyl)methyl]thiolan-3-one
SMILESO=C1CSCC1CC1CCCC1(F)F
InChIInChI=1S/C10H14F2OS/c11-10(12)3-1-2-8(10)4-7-5-14-6-9(7)13/h7-8H,1-6H2
InChIKeyDBJZNBWVCWCGJT-UHFFFAOYSA-N
MW220.28 g/mol
LogP2.74
Rot. Bonds2

About 4-[(2,2-difluorocyclopentyl)methyl]thiolan-3-one

4-[(2,2-difluorocyclopentyl)methyl]thiolan-3-one (PubChem CID 130934234) has the molecular formula C10H14F2OS and a molecular weight of 220.28 g/mol. Its IUPAC name is 4-[(2,2-difluorocyclopentyl)methyl]thiolan-3-one.

Molecular Properties

Compound Name4-[(2,2-difluorocyclopentyl)methyl]thiolan-3-one
PubChem CID130934234
Molecular FormulaC10H14F2OS
Molecular Weight220.28 g/mol
Exact Mass220.07
IUPAC Name4-[(2,2-difluorocyclopentyl)methyl]thiolan-3-one
SMILESO=C1CSCC1CC1CCCC1(F)F
InChIInChI=1S/C10H14F2OS/c11-10(12)3-1-2-8(10)4-7-5-14-6-9(7)13/h7-8H,1-6H2
InChIKeyDBJZNBWVCWCGJT-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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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-difluorocyclopentyl)methyl]thiolan-3-one?
The IUPAC name of 4-[(2,2-difluorocyclopentyl)methyl]thiolan-3-one (CID 130934234) is 4-[(2,2-difluorocyclopentyl)methyl]thiolan-3-one.
What is the SMILES notation for 4-[(2,2-difluorocyclopentyl)methyl]thiolan-3-one?
The canonical SMILES for 4-[(2,2-difluorocyclopentyl)methyl]thiolan-3-one is O=C1CSCC1CC1CCCC1(F)F.
What is the InChIKey of 4-[(2,2-difluorocyclopentyl)methyl]thiolan-3-one?
The InChIKey is DBJZNBWVCWCGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2OS/c11-10(12)3-1-2-8(10)4-7-5-14-6-9(7)13/h7-8H,1-6H2.
What are the key properties of 4-[(2,2-difluorocyclopentyl)methyl]thiolan-3-one?
4-[(2,2-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-[(2,2-difluorocyclopentyl)methyl]thiolan-3-one is sourced from PubChem (CID 130934234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).