1,1-difluoro-2-(2-methylsulfanylpropyl)cyclopropane

C7H12F2S — CID 91137647

IUPAC1,1-difluoro-2-(2-methylsulfanylpropyl)cyclopropane
SMILESCSC(C)CC1CC1(F)F
InChIInChI=1S/C7H12F2S/c1-5(10-2)3-6-4-7(6,8)9/h5-6H,3-4H2,1-2H3
InChIKeyRLTAHEXGHDQWRT-UHFFFAOYSA-N
MW166.24 g/mol
LogP2.78
Rot. Bonds3

About 1,1-difluoro-2-(2-methylsulfanylpropyl)cyclopropane

1,1-difluoro-2-(2-methylsulfanylpropyl)cyclopropane (PubChem CID 91137647) has the molecular formula C7H12F2S and a molecular weight of 166.24 g/mol. Its IUPAC name is 1,1-difluoro-2-(2-methylsulfanylpropyl)cyclopropane.

Molecular Properties

Compound Name1,1-difluoro-2-(2-methylsulfanylpropyl)cyclopropane
PubChem CID91137647
Molecular FormulaC7H12F2S
Molecular Weight166.24 g/mol
Exact Mass166.06
IUPAC Name1,1-difluoro-2-(2-methylsulfanylpropyl)cyclopropane
SMILESCSC(C)CC1CC1(F)F
InChIInChI=1S/C7H12F2S/c1-5(10-2)3-6-4-7(6,8)9/h5-6H,3-4H2,1-2H3
InChIKeyRLTAHEXGHDQWRT-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-(2-methylsulfanylpropyl)cyclopropane?
The IUPAC name of 1,1-difluoro-2-(2-methylsulfanylpropyl)cyclopropane (CID 91137647) is 1,1-difluoro-2-(2-methylsulfanylpropyl)cyclopropane.
What is the SMILES notation for 1,1-difluoro-2-(2-methylsulfanylpropyl)cyclopropane?
The canonical SMILES for 1,1-difluoro-2-(2-methylsulfanylpropyl)cyclopropane is CSC(C)CC1CC1(F)F.
What is the InChIKey of 1,1-difluoro-2-(2-methylsulfanylpropyl)cyclopropane?
The InChIKey is RLTAHEXGHDQWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2S/c1-5(10-2)3-6-4-7(6,8)9/h5-6H,3-4H2,1-2H3.
What are the key properties of 1,1-difluoro-2-(2-methylsulfanylpropyl)cyclopropane?
1,1-difluoro-2-(2-methylsulfanylpropyl)cyclopropane has a molecular weight of 166.24 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-(2-methylsulfanylpropyl)cyclopropane is sourced from PubChem (CID 91137647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).