7-fluoroheptane-1-thiol

C7H15FS — CID 57101489

IUPAC7-fluoroheptane-1-thiol
SMILESFCCCCCCCS
InChIInChI=1S/C7H15FS/c8-6-4-2-1-3-5-7-9/h9H,1-7H2
InChIKeyUBBAWMMITGNFGA-UHFFFAOYSA-N
MW150.26 g/mol
LogP2.84
Rot. Bonds6

About 7-fluoroheptane-1-thiol

7-fluoroheptane-1-thiol (PubChem CID 57101489) has the molecular formula C7H15FS and a molecular weight of 150.26 g/mol. Its IUPAC name is 7-fluoroheptane-1-thiol.

Molecular Properties

Compound Name7-fluoroheptane-1-thiol
PubChem CID57101489
Molecular FormulaC7H15FS
Molecular Weight150.26 g/mol
Exact Mass150.09
IUPAC Name7-fluoroheptane-1-thiol
SMILESFCCCCCCCS
InChIInChI=1S/C7H15FS/c8-6-4-2-1-3-5-7-9/h9H,1-7H2
InChIKeyUBBAWMMITGNFGA-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoroheptane-1-thiol?
The IUPAC name of 7-fluoroheptane-1-thiol (CID 57101489) is 7-fluoroheptane-1-thiol.
What is the SMILES notation for 7-fluoroheptane-1-thiol?
The canonical SMILES for 7-fluoroheptane-1-thiol is FCCCCCCCS.
What is the InChIKey of 7-fluoroheptane-1-thiol?
The InChIKey is UBBAWMMITGNFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FS/c8-6-4-2-1-3-5-7-9/h9H,1-7H2.
What are the key properties of 7-fluoroheptane-1-thiol?
7-fluoroheptane-1-thiol has a molecular weight of 150.26 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoroheptane-1-thiol is sourced from PubChem (CID 57101489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).