2-ethylsulfanyl-1-fluoropropane

C5H11FS — CID 87129563

IUPAC2-ethylsulfanyl-1-fluoropropane
SMILESCCSC(C)CF
InChIInChI=1S/C5H11FS/c1-3-7-5(2)4-6/h5H,3-4H2,1-2H3
InChIKeyBSBMRTMLANRZHE-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.10
Rot. Bonds3

About 2-ethylsulfanyl-1-fluoropropane

2-ethylsulfanyl-1-fluoropropane (PubChem CID 87129563) has the molecular formula C5H11FS and a molecular weight of 122.21 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-fluoropropane.

Molecular Properties

Compound Name2-ethylsulfanyl-1-fluoropropane
PubChem CID87129563
Molecular FormulaC5H11FS
Molecular Weight122.21 g/mol
Exact Mass122.06
IUPAC Name2-ethylsulfanyl-1-fluoropropane
SMILESCCSC(C)CF
InChIInChI=1S/C5H11FS/c1-3-7-5(2)4-6/h5H,3-4H2,1-2H3
InChIKeyBSBMRTMLANRZHE-UHFFFAOYSA-N
XLogP2.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-fluoropropane?
The IUPAC name of 2-ethylsulfanyl-1-fluoropropane (CID 87129563) is 2-ethylsulfanyl-1-fluoropropane.
What is the SMILES notation for 2-ethylsulfanyl-1-fluoropropane?
The canonical SMILES for 2-ethylsulfanyl-1-fluoropropane is CCSC(C)CF.
What is the InChIKey of 2-ethylsulfanyl-1-fluoropropane?
The InChIKey is BSBMRTMLANRZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FS/c1-3-7-5(2)4-6/h5H,3-4H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-1-fluoropropane?
2-ethylsulfanyl-1-fluoropropane has a molecular weight of 122.21 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-fluoropropane is sourced from PubChem (CID 87129563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).