2-(3-fluorocyclobutyl)ethanethiol

C6H11FS — CID 155822272

IUPAC2-(3-fluorocyclobutyl)ethanethiol
SMILESFC1CC(CCS)C1
InChIInChI=1S/C6H11FS/c7-6-3-5(4-6)1-2-8/h5-6,8H,1-4H2
InChIKeyAQXPOPXSOOMPBQ-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.05
Rot. Bonds2

About 2-(3-fluorocyclobutyl)ethanethiol

2-(3-fluorocyclobutyl)ethanethiol (PubChem CID 155822272) has the molecular formula C6H11FS and a molecular weight of 134.22 g/mol. Its IUPAC name is 2-(3-fluorocyclobutyl)ethanethiol.

Molecular Properties

Compound Name2-(3-fluorocyclobutyl)ethanethiol
PubChem CID155822272
Molecular FormulaC6H11FS
Molecular Weight134.22 g/mol
Exact Mass134.06
IUPAC Name2-(3-fluorocyclobutyl)ethanethiol
SMILESFC1CC(CCS)C1
InChIInChI=1S/C6H11FS/c7-6-3-5(4-6)1-2-8/h5-6,8H,1-4H2
InChIKeyAQXPOPXSOOMPBQ-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
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

2-[3,4-bis(2-sulfanylethyl)cyclohexyl]ethanethiol
CID 20502921
1-(3-fluorocyclobutyl)-N-methylmethanamine
CID 105430010
(3-fluorocyclobutyl)methylhydrazine
CID 102537971
2-(1,2,3,4,4a,5,8,8a-octahydronaphthalen-2-yl)ethanethiol
CID 145186058
2-(6-tricyclo[3.2.1.03,8]octanyl)ethanethiol
CID 142340205
(3-fluorocyclobutyl)methanesulfonamide
CID 126717840
2-[(3R)-1-methylpyrrolidin-3-yl]ethanethiol
CID 59948989
sodium (3-fluorocyclobutyl)methanesulfonate
CID 141471565
(5R)-1-bromo-3-ethyl-5-fluorocyclohexane
CID 130451561
4-(2-sulfanylethyl)thiolane-2-carboxylic acid
CID 174276069
1-(3-fluorocyclobutyl)-3-methylbutan-2-one
CID 158355329
2-[3-(2-fluoro-6-methylphenyl)cyclopentyl]ethanethiol
CID 177327822

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorocyclobutyl)ethanethiol?
The IUPAC name of 2-(3-fluorocyclobutyl)ethanethiol (CID 155822272) is 2-(3-fluorocyclobutyl)ethanethiol.
What is the SMILES notation for 2-(3-fluorocyclobutyl)ethanethiol?
The canonical SMILES for 2-(3-fluorocyclobutyl)ethanethiol is FC1CC(CCS)C1.
What is the InChIKey of 2-(3-fluorocyclobutyl)ethanethiol?
The InChIKey is AQXPOPXSOOMPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FS/c7-6-3-5(4-6)1-2-8/h5-6,8H,1-4H2.
What are the key properties of 2-(3-fluorocyclobutyl)ethanethiol?
2-(3-fluorocyclobutyl)ethanethiol has a molecular weight of 134.22 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorocyclobutyl)ethanethiol is sourced from PubChem (CID 155822272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).