1-(3-chloropropylsulfanyl)-4-fluorobutane

C7H14ClFS — CID 130549517

IUPAC1-(3-chloropropylsulfanyl)-4-fluorobutane
SMILESFCCCCSCCCCl
InChIInChI=1S/C7H14ClFS/c8-4-3-7-10-6-2-1-5-9/h1-7H2
InChIKeyPRPQZJFGYWRJNX-UHFFFAOYSA-N
MW184.71 g/mol
LogP3.10
Rot. Bonds7

About 1-(3-chloropropylsulfanyl)-4-fluorobutane

1-(3-chloropropylsulfanyl)-4-fluorobutane (PubChem CID 130549517) has the molecular formula C7H14ClFS and a molecular weight of 184.71 g/mol. Its IUPAC name is 1-(3-chloropropylsulfanyl)-4-fluorobutane.

Molecular Properties

Compound Name1-(3-chloropropylsulfanyl)-4-fluorobutane
PubChem CID130549517
Molecular FormulaC7H14ClFS
Molecular Weight184.71 g/mol
Exact Mass184.05
IUPAC Name1-(3-chloropropylsulfanyl)-4-fluorobutane
SMILESFCCCCSCCCCl
InChIInChI=1S/C7H14ClFS/c8-4-3-7-10-6-2-1-5-9/h1-7H2
InChIKeyPRPQZJFGYWRJNX-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.71
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropylsulfanyl)-4-fluorobutane?
The IUPAC name of 1-(3-chloropropylsulfanyl)-4-fluorobutane (CID 130549517) is 1-(3-chloropropylsulfanyl)-4-fluorobutane.
What is the SMILES notation for 1-(3-chloropropylsulfanyl)-4-fluorobutane?
The canonical SMILES for 1-(3-chloropropylsulfanyl)-4-fluorobutane is FCCCCSCCCCl.
What is the InChIKey of 1-(3-chloropropylsulfanyl)-4-fluorobutane?
The InChIKey is PRPQZJFGYWRJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClFS/c8-4-3-7-10-6-2-1-5-9/h1-7H2.
What are the key properties of 1-(3-chloropropylsulfanyl)-4-fluorobutane?
1-(3-chloropropylsulfanyl)-4-fluorobutane has a molecular weight of 184.71 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropylsulfanyl)-4-fluorobutane is sourced from PubChem (CID 130549517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).