1-fluoropentane-2-thiol

C5H11FS — CID 11622332

IUPAC1-fluoropentane-2-thiol
SMILESCCCC(S)CF
InChIInChI=1S/C5H11FS/c1-2-3-5(7)4-6/h5,7H,2-4H2,1H3
InChIKeyNHBBYRQWJBHLPO-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.05
Rot. Bonds3

About 1-fluoropentane-2-thiol

1-fluoropentane-2-thiol (PubChem CID 11622332) has the molecular formula C5H11FS and a molecular weight of 122.21 g/mol. Its IUPAC name is 1-fluoropentane-2-thiol.

Molecular Properties

Compound Name1-fluoropentane-2-thiol
PubChem CID11622332
Molecular FormulaC5H11FS
Molecular Weight122.21 g/mol
Exact Mass122.06
IUPAC Name1-fluoropentane-2-thiol
SMILESCCCC(S)CF
InChIInChI=1S/C5H11FS/c1-2-3-5(7)4-6/h5,7H,2-4H2,1H3
InChIKeyNHBBYRQWJBHLPO-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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Related Compounds

1-Pentanethiol
CID 8067
2-Pentanethiol
CID 62424
3-Pentanethiol
CID 69220
Hexanethiol, 6-fluoro-
CID 9853
5-Fluoropentane-1-thiol
CID 3029712
4-Fluorobutane-1-thiol
CID 17787401
2-Fluoro-2-methylpropane-1-thiol
CID 20446646
1-Fluoropentane-1-thiol
CID 21646665
1-Fluorobutane-1-thiol
CID 21652342
3-Fluorocyclopentane-1-thiol
CID 23290228
5,5,5-Trifluoropentylmercaptan
CID 56604698
7-Fluoroheptane-1-thiol
CID 57101489

Frequently Asked Questions

What is the IUPAC name of 1-fluoropentane-2-thiol?
The IUPAC name of 1-fluoropentane-2-thiol (CID 11622332) is 1-fluoropentane-2-thiol.
What is the SMILES notation for 1-fluoropentane-2-thiol?
The canonical SMILES for 1-fluoropentane-2-thiol is CCCC(S)CF.
What is the InChIKey of 1-fluoropentane-2-thiol?
The InChIKey is NHBBYRQWJBHLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FS/c1-2-3-5(7)4-6/h5,7H,2-4H2,1H3.
What are the key properties of 1-fluoropentane-2-thiol?
1-fluoropentane-2-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 1-fluoropentane-2-thiol is sourced from PubChem (CID 11622332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).