(2S)-1,1-difluoro-2-(2-methylsulfanylethyl)cyclopropane

C6H10F2S — CID 166825499

IUPAC(2S)-1,1-difluoro-2-(2-methylsulfanylethyl)cyclopropane
SMILESCSCC[C@@H]1CC1(F)F
InChIInChI=1S/C6H10F2S/c1-9-3-2-5-4-6(5,7)8/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyBDXHJEGMBOEDGR-RXMQYKEDSA-N
MW152.21 g/mol
LogP2.39
Rot. Bonds3

About (2S)-1,1-difluoro-2-(2-methylsulfanylethyl)cyclopropane

(2S)-1,1-difluoro-2-(2-methylsulfanylethyl)cyclopropane (PubChem CID 166825499) has the molecular formula C6H10F2S and a molecular weight of 152.21 g/mol. Its IUPAC name is (2S)-1,1-difluoro-2-(2-methylsulfanylethyl)cyclopropane.

Molecular Properties

Compound Name(2S)-1,1-difluoro-2-(2-methylsulfanylethyl)cyclopropane
PubChem CID166825499
Molecular FormulaC6H10F2S
Molecular Weight152.21 g/mol
Exact Mass152.05
IUPAC Name(2S)-1,1-difluoro-2-(2-methylsulfanylethyl)cyclopropane
SMILESCSCC[C@@H]1CC1(F)F
InChIInChI=1S/C6H10F2S/c1-9-3-2-5-4-6(5,7)8/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyBDXHJEGMBOEDGR-RXMQYKEDSA-N
XLogP2.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.21
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,1-difluoro-2-(2-methylsulfanylethyl)cyclopropane?
The IUPAC name of (2S)-1,1-difluoro-2-(2-methylsulfanylethyl)cyclopropane (CID 166825499) is (2S)-1,1-difluoro-2-(2-methylsulfanylethyl)cyclopropane.
What is the SMILES notation for (2S)-1,1-difluoro-2-(2-methylsulfanylethyl)cyclopropane?
The canonical SMILES for (2S)-1,1-difluoro-2-(2-methylsulfanylethyl)cyclopropane is CSCC[C@@H]1CC1(F)F.
What is the InChIKey of (2S)-1,1-difluoro-2-(2-methylsulfanylethyl)cyclopropane?
The InChIKey is BDXHJEGMBOEDGR-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10F2S/c1-9-3-2-5-4-6(5,7)8/h5H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of (2S)-1,1-difluoro-2-(2-methylsulfanylethyl)cyclopropane?
(2S)-1,1-difluoro-2-(2-methylsulfanylethyl)cyclopropane has a molecular weight of 152.21 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1-difluoro-2-(2-methylsulfanylethyl)cyclopropane is sourced from PubChem (CID 166825499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).