2,2-difluoroethylsulfanylmethylcyclopropane

C6H10F2S — CID 130682739

IUPAC2,2-difluoroethylsulfanylmethylcyclopropane
SMILESFC(F)CSCC1CC1
InChIInChI=1S/C6H10F2S/c7-6(8)4-9-3-5-1-2-5/h5-6H,1-4H2
InChIKeyNOAFUVSAVOIUIF-UHFFFAOYSA-N
MW152.21 g/mol
LogP2.39
Rot. Bonds4

About 2,2-difluoroethylsulfanylmethylcyclopropane

2,2-difluoroethylsulfanylmethylcyclopropane (PubChem CID 130682739) has the molecular formula C6H10F2S and a molecular weight of 152.21 g/mol. Its IUPAC name is 2,2-difluoroethylsulfanylmethylcyclopropane.

Molecular Properties

Compound Name2,2-difluoroethylsulfanylmethylcyclopropane
PubChem CID130682739
Molecular FormulaC6H10F2S
Molecular Weight152.21 g/mol
Exact Mass152.05
IUPAC Name2,2-difluoroethylsulfanylmethylcyclopropane
SMILESFC(F)CSCC1CC1
InChIInChI=1S/C6H10F2S/c7-6(8)4-9-3-5-1-2-5/h5-6H,1-4H2
InChIKeyNOAFUVSAVOIUIF-UHFFFAOYSA-N
XLogP2.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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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Related Compounds

3-(cyclopropylmethylsulfanyl)-2-methylpropan-1-ol
CID 66104453
N-[1-(cyclopropylmethylsulfanyl)-3-trimethylsilyloxypropan-2-yl]-2,2-difluoroethanimine
CID 66972796
1-(cyclopentylmethylsulfanyl)propan-2-ol
CID 63119780
4-(2,2-difluoroethyl)cyclohexan-1-amine
CID 84716905
3-(cyclopropylmethylsulfanyl)-2-(2,2,3,3,3-pentafluoropropylamino)propanoic acid
CID 91276530
2-(cyclopentylmethylsulfanylmethyl)-3,3,3-trifluoropropanoic acid
CID 80997496
3-(oxan-4-ylmethylsulfanyl)propane-1,2-diol
CID 79683221
(2S)-2-amino-3-(cyclobutylmethylsulfanyl)propanoic acid
CID 107773580
(2R)-3-(cyclopropylmethylsulfanyl)-2-(2,2,3,3,4,4,4-heptafluorobutylamino)propanoic acid
CID 88895855
2-(2-methylpropylsulfanyl)ethylcyclopropane
CID 130718776
2-bromoprop-2-enylsulfanylmethylcyclopropane
CID 130775642
1-cyclopropyl-4-(cyclopropylmethylsulfanyl)butane-1,2-diol
CID 67930972

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethylsulfanylmethylcyclopropane?
The IUPAC name of 2,2-difluoroethylsulfanylmethylcyclopropane (CID 130682739) is 2,2-difluoroethylsulfanylmethylcyclopropane.
What is the SMILES notation for 2,2-difluoroethylsulfanylmethylcyclopropane?
The canonical SMILES for 2,2-difluoroethylsulfanylmethylcyclopropane is FC(F)CSCC1CC1.
What is the InChIKey of 2,2-difluoroethylsulfanylmethylcyclopropane?
The InChIKey is NOAFUVSAVOIUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2S/c7-6(8)4-9-3-5-1-2-5/h5-6H,1-4H2.
What are the key properties of 2,2-difluoroethylsulfanylmethylcyclopropane?
2,2-difluoroethylsulfanylmethylcyclopropane has a molecular weight of 152.21 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethylsulfanylmethylcyclopropane is sourced from PubChem (CID 130682739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).