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

C7H9F3O2S — CID 65444269

IUPAC2-[1-(trifluoromethylsulfanylmethyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(CSC(F)(F)F)CC1
InChIInChI=1S/C7H9F3O2S/c8-7(9,10)13-4-6(1-2-6)3-5(11)12/h1-4H2,(H,11,12)
InChIKeyGFWZFMWCSRKMQV-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.49
Rot. Bonds4

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

2-[1-(trifluoromethylsulfanylmethyl)cyclopropyl]acetic acid (PubChem CID 65444269) has the molecular formula C7H9F3O2S and a molecular weight of 214.21 g/mol. Its IUPAC name is 2-[1-(trifluoromethylsulfanylmethyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(trifluoromethylsulfanylmethyl)cyclopropyl]acetic acid
PubChem CID65444269
Molecular FormulaC7H9F3O2S
Molecular Weight214.21 g/mol
Exact Mass214.03
IUPAC Name2-[1-(trifluoromethylsulfanylmethyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(CSC(F)(F)F)CC1
InChIInChI=1S/C7H9F3O2S/c8-7(9,10)13-4-6(1-2-6)3-5(11)12/h1-4H2,(H,11,12)
InChIKeyGFWZFMWCSRKMQV-UHFFFAOYSA-N
XLogP2.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(trifluoromethylsulfanylmethyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(trifluoromethylsulfanylmethyl)cyclopropyl]acetic acid (CID 65444269) is 2-[1-(trifluoromethylsulfanylmethyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(trifluoromethylsulfanylmethyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(trifluoromethylsulfanylmethyl)cyclopropyl]acetic acid is O=C(O)CC1(CSC(F)(F)F)CC1.
What is the InChIKey of 2-[1-(trifluoromethylsulfanylmethyl)cyclopropyl]acetic acid?
The InChIKey is GFWZFMWCSRKMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O2S/c8-7(9,10)13-4-6(1-2-6)3-5(11)12/h1-4H2,(H,11,12).
What are the key properties of 2-[1-(trifluoromethylsulfanylmethyl)cyclopropyl]acetic acid?
2-[1-(trifluoromethylsulfanylmethyl)cyclopropyl]acetic acid has a molecular weight of 214.21 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(trifluoromethylsulfanylmethyl)cyclopropyl]acetic acid is sourced from PubChem (CID 65444269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).