4-fluoropentane-1-thiol

C5H11FS — CID 87282782

IUPAC4-fluoropentane-1-thiol
SMILESCC(F)CCCS
InChIInChI=1S/C5H11FS/c1-5(6)3-2-4-7/h5,7H,2-4H2,1H3
InChIKeyDIVZJOFHZIUZKA-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.05
Rot. Bonds3

About 4-fluoropentane-1-thiol

4-fluoropentane-1-thiol (PubChem CID 87282782) has the molecular formula C5H11FS and a molecular weight of 122.21 g/mol. Its IUPAC name is 4-fluoropentane-1-thiol.

Molecular Properties

Compound Name4-fluoropentane-1-thiol
PubChem CID87282782
Molecular FormulaC5H11FS
Molecular Weight122.21 g/mol
Exact Mass122.06
IUPAC Name4-fluoropentane-1-thiol
SMILESCC(F)CCCS
InChIInChI=1S/C5H11FS/c1-5(6)3-2-4-7/h5,7H,2-4H2,1H3
InChIKeyDIVZJOFHZIUZKA-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoropentane-1-thiol?
The IUPAC name of 4-fluoropentane-1-thiol (CID 87282782) is 4-fluoropentane-1-thiol.
What is the SMILES notation for 4-fluoropentane-1-thiol?
The canonical SMILES for 4-fluoropentane-1-thiol is CC(F)CCCS.
What is the InChIKey of 4-fluoropentane-1-thiol?
The InChIKey is DIVZJOFHZIUZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FS/c1-5(6)3-2-4-7/h5,7H,2-4H2,1H3.
What are the key properties of 4-fluoropentane-1-thiol?
4-fluoropentane-1-thiol has a molecular weight of 122.21 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoropentane-1-thiol is sourced from PubChem (CID 87282782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).