3-(2-fluoropropylsulfanyl)propan-1-ol

C6H13FOS — CID 19873153

IUPAC3-(2-fluoropropylsulfanyl)propan-1-ol
SMILESCC(F)CSCCCO
InChIInChI=1S/C6H13FOS/c1-6(7)5-9-4-2-3-8/h6,8H,2-5H2,1H3
InChIKeyWVPWUMGDZLKZQE-UHFFFAOYSA-N
MW152.23 g/mol
LogP1.46
Rot. Bonds5

About 3-(2-fluoropropylsulfanyl)propan-1-ol

3-(2-fluoropropylsulfanyl)propan-1-ol (PubChem CID 19873153) has the molecular formula C6H13FOS and a molecular weight of 152.23 g/mol. Its IUPAC name is 3-(2-fluoropropylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name3-(2-fluoropropylsulfanyl)propan-1-ol
PubChem CID19873153
Molecular FormulaC6H13FOS
Molecular Weight152.23 g/mol
Exact Mass152.07
IUPAC Name3-(2-fluoropropylsulfanyl)propan-1-ol
SMILESCC(F)CSCCCO
InChIInChI=1S/C6H13FOS/c1-6(7)5-9-4-2-3-8/h6,8H,2-5H2,1H3
InChIKeyWVPWUMGDZLKZQE-UHFFFAOYSA-N
XLogP1.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(Methylthio)-1-propanol
CID 10448
gamma-Hydroxypropyl ethyl sulfide
CID 87762
4-(Methylthio)butanol
CID 519793
2-(Butylthio)ethanol
CID 79241
3-((2-Hydroxyethyl)sulfanyl)propan-1-ol
CID 220278
3-(Ethylthio)-1-butanol
CID 23039305
2-(Propylthio)ethanol
CID 89850
3,3'-Thiodipropan-1-ol
CID 66358
2-((1-Methylethyl)thio)ethanol
CID 101268
2-(Methylsulfanyl)propan-1-ol
CID 13039565
3-(Methylthio)-1-butanol
CID 22934579
1-Butanol, 4-(ethylthio)-
CID 283797

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropylsulfanyl)propan-1-ol?
The IUPAC name of 3-(2-fluoropropylsulfanyl)propan-1-ol (CID 19873153) is 3-(2-fluoropropylsulfanyl)propan-1-ol.
What is the SMILES notation for 3-(2-fluoropropylsulfanyl)propan-1-ol?
The canonical SMILES for 3-(2-fluoropropylsulfanyl)propan-1-ol is CC(F)CSCCCO.
What is the InChIKey of 3-(2-fluoropropylsulfanyl)propan-1-ol?
The InChIKey is WVPWUMGDZLKZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FOS/c1-6(7)5-9-4-2-3-8/h6,8H,2-5H2,1H3.
What are the key properties of 3-(2-fluoropropylsulfanyl)propan-1-ol?
3-(2-fluoropropylsulfanyl)propan-1-ol has a molecular weight of 152.23 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropylsulfanyl)propan-1-ol is sourced from PubChem (CID 19873153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).