2-[1-(2,2-difluoroethylsulfanylmethyl)cyclopropyl]acetic acid

C8H12F2O2S — CID 65442124

IUPAC2-[1-(2,2-difluoroethylsulfanylmethyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(CSCC(F)F)CC1
InChIInChI=1S/C8H12F2O2S/c9-6(10)4-13-5-8(1-2-8)3-7(11)12/h6H,1-5H2,(H,11,12)
InChIKeyGEOFEJOLKMGUBQ-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.24
Rot. Bonds6

About 2-[1-(2,2-difluoroethylsulfanylmethyl)cyclopropyl]acetic acid

2-[1-(2,2-difluoroethylsulfanylmethyl)cyclopropyl]acetic acid (PubChem CID 65442124) has the molecular formula C8H12F2O2S and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-[1-(2,2-difluoroethylsulfanylmethyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,2-difluoroethylsulfanylmethyl)cyclopropyl]acetic acid
PubChem CID65442124
Molecular FormulaC8H12F2O2S
Molecular Weight210.24 g/mol
Exact Mass210.05
IUPAC Name2-[1-(2,2-difluoroethylsulfanylmethyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(CSCC(F)F)CC1
InChIInChI=1S/C8H12F2O2S/c9-6(10)4-13-5-8(1-2-8)3-7(11)12/h6H,1-5H2,(H,11,12)
InChIKeyGEOFEJOLKMGUBQ-UHFFFAOYSA-N
XLogP2.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2,2-difluoroethylsulfanylmethyl)cyclopropyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(2-hydroxy-2-phenylethyl)sulfanylmethyl]cyclopropyl]acetic acid
CID 65441496
2-[1-(4-hydroxybutylsulfanylmethyl)cyclopropyl]acetic acid
CID 65441692
2-[1-(3-methylbut-3-enylsulfanylmethyl)cyclopropyl]acetic acid
CID 114471353
2-[1-[[2-oxo-2-(pentan-3-ylamino)ethyl]sulfanylmethyl]cyclopropyl]acetic acid
CID 65441697
2-[1-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfanylmethyl]cyclopropyl]acetic acid
CID 65442677
2-[1-[[2-(6-methylheptan-2-ylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid
CID 65442695
2-[1-[(4-chloro-2-fluorophenyl)methylsulfanylmethyl]cyclopropyl]acetic acid
CID 114847713
2-[1-[(3-bromo-4-fluorophenyl)methylsulfanylmethyl]cyclopropyl]acetic acid
CID 65441515
2-[1-[[1-(methylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetic acid
CID 65443701
2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methylsulfanylmethyl]cyclopropyl]acetic acid
CID 80609738
2-[1-[(3-methoxy-3-methylbutyl)sulfanylmethyl]cyclopropyl]acetic acid
CID 103032609
2-[1-[(3-fluorophenyl)methylsulfanylmethyl]cyclopropyl]acetic acid
CID 65442084

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-difluoroethylsulfanylmethyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(2,2-difluoroethylsulfanylmethyl)cyclopropyl]acetic acid (CID 65442124) is 2-[1-(2,2-difluoroethylsulfanylmethyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(2,2-difluoroethylsulfanylmethyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(2,2-difluoroethylsulfanylmethyl)cyclopropyl]acetic acid is O=C(O)CC1(CSCC(F)F)CC1.
What is the InChIKey of 2-[1-(2,2-difluoroethylsulfanylmethyl)cyclopropyl]acetic acid?
The InChIKey is GEOFEJOLKMGUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O2S/c9-6(10)4-13-5-8(1-2-8)3-7(11)12/h6H,1-5H2,(H,11,12).
What are the key properties of 2-[1-(2,2-difluoroethylsulfanylmethyl)cyclopropyl]acetic acid?
2-[1-(2,2-difluoroethylsulfanylmethyl)cyclopropyl]acetic acid has a molecular weight of 210.24 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-difluoroethylsulfanylmethyl)cyclopropyl]acetic acid is sourced from PubChem (CID 65442124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).