2-[1-(difluoromethylsulfanylmethyl)cyclopropyl]acetic acid

C7H10F2O2S — CID 65442083

IUPAC2-[1-(difluoromethylsulfanylmethyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(CSC(F)F)CC1
InChIInChI=1S/C7H10F2O2S/c8-6(9)12-4-7(1-2-7)3-5(10)11/h6H,1-4H2,(H,10,11)
InChIKeySXESRHAUVBNHDQ-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.20
Rot. Bonds5

About 2-[1-(difluoromethylsulfanylmethyl)cyclopropyl]acetic acid

2-[1-(difluoromethylsulfanylmethyl)cyclopropyl]acetic acid (PubChem CID 65442083) has the molecular formula C7H10F2O2S and a molecular weight of 196.22 g/mol. Its IUPAC name is 2-[1-(difluoromethylsulfanylmethyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(difluoromethylsulfanylmethyl)cyclopropyl]acetic acid
PubChem CID65442083
Molecular FormulaC7H10F2O2S
Molecular Weight196.22 g/mol
Exact Mass196.04
IUPAC Name2-[1-(difluoromethylsulfanylmethyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(CSC(F)F)CC1
InChIInChI=1S/C7H10F2O2S/c8-6(9)12-4-7(1-2-7)3-5(10)11/h6H,1-4H2,(H,10,11)
InChIKeySXESRHAUVBNHDQ-UHFFFAOYSA-N
XLogP2.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethylsulfanylmethyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(difluoromethylsulfanylmethyl)cyclopropyl]acetic acid (CID 65442083) is 2-[1-(difluoromethylsulfanylmethyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(difluoromethylsulfanylmethyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(difluoromethylsulfanylmethyl)cyclopropyl]acetic acid is O=C(O)CC1(CSC(F)F)CC1.
What is the InChIKey of 2-[1-(difluoromethylsulfanylmethyl)cyclopropyl]acetic acid?
The InChIKey is SXESRHAUVBNHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O2S/c8-6(9)12-4-7(1-2-7)3-5(10)11/h6H,1-4H2,(H,10,11).
What are the key properties of 2-[1-(difluoromethylsulfanylmethyl)cyclopropyl]acetic acid?
2-[1-(difluoromethylsulfanylmethyl)cyclopropyl]acetic acid has a molecular weight of 196.22 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethylsulfanylmethyl)cyclopropyl]acetic acid is sourced from PubChem (CID 65442083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).