2-[1-(3-fluoropropylsulfonylmethyl)cyclopropyl]acetic acid

C9H15FO4S — CID 81105933

IUPAC2-[1-(3-fluoropropylsulfonylmethyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(CS(=O)(=O)CCCF)CC1
InChIInChI=1S/C9H15FO4S/c10-4-1-5-15(13,14)7-9(2-3-9)6-8(11)12/h1-7H2,(H,11,12)
InChIKeyBRTMQHILOOSEEB-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.02
Rot. Bonds7

About 2-[1-(3-fluoropropylsulfonylmethyl)cyclopropyl]acetic acid

2-[1-(3-fluoropropylsulfonylmethyl)cyclopropyl]acetic acid (PubChem CID 81105933) has the molecular formula C9H15FO4S and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-[1-(3-fluoropropylsulfonylmethyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-fluoropropylsulfonylmethyl)cyclopropyl]acetic acid
PubChem CID81105933
Molecular FormulaC9H15FO4S
Molecular Weight238.28 g/mol
Exact Mass238.07
IUPAC Name2-[1-(3-fluoropropylsulfonylmethyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(CS(=O)(=O)CCCF)CC1
InChIInChI=1S/C9H15FO4S/c10-4-1-5-15(13,14)7-9(2-3-9)6-8(11)12/h1-7H2,(H,11,12)
InChIKeyBRTMQHILOOSEEB-UHFFFAOYSA-N
XLogP1.02
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluoropropylsulfonylmethyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(3-fluoropropylsulfonylmethyl)cyclopropyl]acetic acid (CID 81105933) is 2-[1-(3-fluoropropylsulfonylmethyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(3-fluoropropylsulfonylmethyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(3-fluoropropylsulfonylmethyl)cyclopropyl]acetic acid is O=C(O)CC1(CS(=O)(=O)CCCF)CC1.
What is the InChIKey of 2-[1-(3-fluoropropylsulfonylmethyl)cyclopropyl]acetic acid?
The InChIKey is BRTMQHILOOSEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO4S/c10-4-1-5-15(13,14)7-9(2-3-9)6-8(11)12/h1-7H2,(H,11,12).
What are the key properties of 2-[1-(3-fluoropropylsulfonylmethyl)cyclopropyl]acetic acid?
2-[1-(3-fluoropropylsulfonylmethyl)cyclopropyl]acetic acid has a molecular weight of 238.28 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoropropylsulfonylmethyl)cyclopropyl]acetic acid is sourced from PubChem (CID 81105933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).