2-(2,5-difluorophenyl)sulfanylcyclopentan-1-one

C11H10F2OS — CID 43224893

IUPAC2-(2,5-difluorophenyl)sulfanylcyclopentan-1-one
SMILESO=C1CCCC1Sc1cc(F)ccc1F
InChIInChI=1S/C11H10F2OS/c12-7-4-5-8(13)11(6-7)15-10-3-1-2-9(10)14/h4-6,10H,1-3H2
InChIKeyZUIPQLPVAWQWPI-UHFFFAOYSA-N
MW228.26 g/mol
LogP3.18
Rot. Bonds2

About 2-(2,5-difluorophenyl)sulfanylcyclopentan-1-one

2-(2,5-difluorophenyl)sulfanylcyclopentan-1-one (PubChem CID 43224893) has the molecular formula C11H10F2OS and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)sulfanylcyclopentan-1-one.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)sulfanylcyclopentan-1-one
PubChem CID43224893
Molecular FormulaC11H10F2OS
Molecular Weight228.26 g/mol
Exact Mass228.04
IUPAC Name2-(2,5-difluorophenyl)sulfanylcyclopentan-1-one
SMILESO=C1CCCC1Sc1cc(F)ccc1F
InChIInChI=1S/C11H10F2OS/c12-7-4-5-8(13)11(6-7)15-10-3-1-2-9(10)14/h4-6,10H,1-3H2
InChIKeyZUIPQLPVAWQWPI-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-difluorophenyl)sulfanyl-1-(4-fluorobenzoyl)azepan-2-one
CID 71901949
2-(2,5-dimethylphenyl)sulfanylcycloheptan-1-one
CID 55560358
2-(3-chlorophenyl)sulfanylcyclopentan-1-one
CID 62645962
(2S)-2-(4-chloro-2-nitrophenyl)sulfanylcyclohexan-1-one
CID 822425
6-(2,5-difluorophenyl)sulfanyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64647907
2-(2,5-difluorophenyl)sulfanyl-N-methylcyclooctan-1-amine
CID 64648291
2-(2,5-difluorophenyl)sulfanyl-N-methylcycloheptan-1-amine
CID 64649448
2-[(2,5-difluorophenyl)disulfanyl]-1,4-difluorobenzene
CID 22351785
1-cyclopropyl-2-(2,5-difluorophenyl)sulfanylethanone
CID 63905359
(2S)-2-(2-nitrophenyl)sulfanylcyclooctan-1-one
CID 822416
2-(2,5-difluorophenyl)sulfanyl-N-propylcyclooctan-1-amine
CID 64648677
(2S)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylcyclopentan-1-one
CID 2678514

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)sulfanylcyclopentan-1-one?
The IUPAC name of 2-(2,5-difluorophenyl)sulfanylcyclopentan-1-one (CID 43224893) is 2-(2,5-difluorophenyl)sulfanylcyclopentan-1-one.
What is the SMILES notation for 2-(2,5-difluorophenyl)sulfanylcyclopentan-1-one?
The canonical SMILES for 2-(2,5-difluorophenyl)sulfanylcyclopentan-1-one is O=C1CCCC1Sc1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)sulfanylcyclopentan-1-one?
The InChIKey is ZUIPQLPVAWQWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2OS/c12-7-4-5-8(13)11(6-7)15-10-3-1-2-9(10)14/h4-6,10H,1-3H2.
What are the key properties of 2-(2,5-difluorophenyl)sulfanylcyclopentan-1-one?
2-(2,5-difluorophenyl)sulfanylcyclopentan-1-one has a molecular weight of 228.26 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)sulfanylcyclopentan-1-one is sourced from PubChem (CID 43224893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).