(1-fluorocyclopropyl)sulfinylbenzene

C9H9FOS — CID 171109625

IUPAC(1-fluorocyclopropyl)sulfinylbenzene
SMILESO=S(c1ccccc1)C1(F)CC1
InChIInChI=1S/C9H9FOS/c10-9(6-7-9)12(11)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyNDOATNXTHRTJSC-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.25
Rot. Bonds2

About (1-fluorocyclopropyl)sulfinylbenzene

(1-fluorocyclopropyl)sulfinylbenzene (PubChem CID 171109625) has the molecular formula C9H9FOS and a molecular weight of 184.24 g/mol. Its IUPAC name is (1-fluorocyclopropyl)sulfinylbenzene.

Molecular Properties

Compound Name(1-fluorocyclopropyl)sulfinylbenzene
PubChem CID171109625
Molecular FormulaC9H9FOS
Molecular Weight184.24 g/mol
Exact Mass184.04
IUPAC Name(1-fluorocyclopropyl)sulfinylbenzene
SMILESO=S(c1ccccc1)C1(F)CC1
InChIInChI=1S/C9H9FOS/c10-9(6-7-9)12(11)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyNDOATNXTHRTJSC-UHFFFAOYSA-N
XLogP2.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclopropyl)sulfinylbenzene?
The IUPAC name of (1-fluorocyclopropyl)sulfinylbenzene (CID 171109625) is (1-fluorocyclopropyl)sulfinylbenzene.
What is the SMILES notation for (1-fluorocyclopropyl)sulfinylbenzene?
The canonical SMILES for (1-fluorocyclopropyl)sulfinylbenzene is O=S(c1ccccc1)C1(F)CC1.
What is the InChIKey of (1-fluorocyclopropyl)sulfinylbenzene?
The InChIKey is NDOATNXTHRTJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FOS/c10-9(6-7-9)12(11)8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of (1-fluorocyclopropyl)sulfinylbenzene?
(1-fluorocyclopropyl)sulfinylbenzene has a molecular weight of 184.24 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclopropyl)sulfinylbenzene is sourced from PubChem (CID 171109625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).