1-ethylsulfanyl-3-fluoropropan-2-ol

C5H11FOS — CID 59154913

IUPAC1-ethylsulfanyl-3-fluoropropan-2-ol
SMILESCCSCC(O)CF
InChIInChI=1S/C5H11FOS/c1-2-8-4-5(7)3-6/h5,7H,2-4H2,1H3
InChIKeyKFDZVMFBQDXYMT-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.07
Rot. Bonds4

About 1-ethylsulfanyl-3-fluoropropan-2-ol

1-ethylsulfanyl-3-fluoropropan-2-ol (PubChem CID 59154913) has the molecular formula C5H11FOS and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-ethylsulfanyl-3-fluoropropan-2-ol.

Molecular Properties

Compound Name1-ethylsulfanyl-3-fluoropropan-2-ol
PubChem CID59154913
Molecular FormulaC5H11FOS
Molecular Weight138.21 g/mol
Exact Mass138.05
IUPAC Name1-ethylsulfanyl-3-fluoropropan-2-ol
SMILESCCSCC(O)CF
InChIInChI=1S/C5H11FOS/c1-2-8-4-5(7)3-6/h5,7H,2-4H2,1H3
InChIKeyKFDZVMFBQDXYMT-UHFFFAOYSA-N
XLogP1.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-3-fluoropropan-2-ol?
The IUPAC name of 1-ethylsulfanyl-3-fluoropropan-2-ol (CID 59154913) is 1-ethylsulfanyl-3-fluoropropan-2-ol.
What is the SMILES notation for 1-ethylsulfanyl-3-fluoropropan-2-ol?
The canonical SMILES for 1-ethylsulfanyl-3-fluoropropan-2-ol is CCSCC(O)CF.
What is the InChIKey of 1-ethylsulfanyl-3-fluoropropan-2-ol?
The InChIKey is KFDZVMFBQDXYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FOS/c1-2-8-4-5(7)3-6/h5,7H,2-4H2,1H3.
What are the key properties of 1-ethylsulfanyl-3-fluoropropan-2-ol?
1-ethylsulfanyl-3-fluoropropan-2-ol has a molecular weight of 138.21 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-3-fluoropropan-2-ol is sourced from PubChem (CID 59154913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).