2,3,4-trifluorobutane-1-thiol

C4H7F3S — CID 175124065

IUPAC2,3,4-trifluorobutane-1-thiol
SMILESFCC(F)C(F)CS
InChIInChI=1S/C4H7F3S/c5-1-3(6)4(7)2-8/h3-4,8H,1-2H2
InChIKeyYDXKNGILXHIMCZ-UHFFFAOYSA-N
MW144.16 g/mol
LogP1.56
Rot. Bonds3

About 2,3,4-trifluorobutane-1-thiol

2,3,4-trifluorobutane-1-thiol (PubChem CID 175124065) has the molecular formula C4H7F3S and a molecular weight of 144.16 g/mol. Its IUPAC name is 2,3,4-trifluorobutane-1-thiol.

Molecular Properties

Compound Name2,3,4-trifluorobutane-1-thiol
PubChem CID175124065
Molecular FormulaC4H7F3S
Molecular Weight144.16 g/mol
Exact Mass144.02
IUPAC Name2,3,4-trifluorobutane-1-thiol
SMILESFCC(F)C(F)CS
InChIInChI=1S/C4H7F3S/c5-1-3(6)4(7)2-8/h3-4,8H,1-2H2
InChIKeyYDXKNGILXHIMCZ-UHFFFAOYSA-N
XLogP1.56
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.16
LogP ≤ 51.56
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-bromo-1,2,3-trifluoropropane
CID 5463736
1,2-difluoroethanethiol
CID 56985558
(2R,3S)-1,2-difluoro-3,4-dimethylpentane
CID 174248486
3-(2,3-dichloropropylsulfanyl)-2,3-difluoropropane-1-thiol
CID 91611785
dimethoxy-bis(2,3,4-trifluorobutyl)stannane
CID 87371114
1,2,4-trifluorobutane-1-thiol
CID 139415886
2,3,4-trifluorobutyl dihydrogen phosphate
CID 90465448
1,2,3,4,5,6-hexafluorohexan-1-ol
CID 87481869
2-fluoro-3-sulfanylpropanoic acid
CID 19034215
sodium;hydride;1,2,3,4,5-pentafluoropentan-1-ol
CID 175062785
1,1,3,4,5-pentafluoropentan-2-amine;hydrochloride
CID 138606782
methanesulfonic acid;1,2,3,4,5-pentafluoropentane-1-thiol
CID 175260214

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluorobutane-1-thiol?
The IUPAC name of 2,3,4-trifluorobutane-1-thiol (CID 175124065) is 2,3,4-trifluorobutane-1-thiol.
What is the SMILES notation for 2,3,4-trifluorobutane-1-thiol?
The canonical SMILES for 2,3,4-trifluorobutane-1-thiol is FCC(F)C(F)CS.
What is the InChIKey of 2,3,4-trifluorobutane-1-thiol?
The InChIKey is YDXKNGILXHIMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3S/c5-1-3(6)4(7)2-8/h3-4,8H,1-2H2.
What are the key properties of 2,3,4-trifluorobutane-1-thiol?
2,3,4-trifluorobutane-1-thiol has a molecular weight of 144.16 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluorobutane-1-thiol is sourced from PubChem (CID 175124065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).