3,3,3-trifluoropropylsulfanylmethanol

C4H7F3OS — CID 59366534

IUPAC3,3,3-trifluoropropylsulfanylmethanol
SMILESOCSCCC(F)(F)F
InChIInChI=1S/C4H7F3OS/c5-4(6,7)1-2-9-3-8/h8H,1-3H2
InChIKeyXXTQANVFIIJUKM-UHFFFAOYSA-N
MW160.16 g/mol
LogP1.62
Rot. Bonds3

About 3,3,3-trifluoropropylsulfanylmethanol

3,3,3-trifluoropropylsulfanylmethanol (PubChem CID 59366534) has the molecular formula C4H7F3OS and a molecular weight of 160.16 g/mol. Its IUPAC name is 3,3,3-trifluoropropylsulfanylmethanol.

Molecular Properties

Compound Name3,3,3-trifluoropropylsulfanylmethanol
PubChem CID59366534
Molecular FormulaC4H7F3OS
Molecular Weight160.16 g/mol
Exact Mass160.02
IUPAC Name3,3,3-trifluoropropylsulfanylmethanol
SMILESOCSCCC(F)(F)F
InChIInChI=1S/C4H7F3OS/c5-4(6,7)1-2-9-3-8/h8H,1-3H2
InChIKeyXXTQANVFIIJUKM-UHFFFAOYSA-N
XLogP1.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.16
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-((Trifluoromethyl)thio)-1-propanol
CID 18620450
Ethanol, 2-[(nonafluorobutyl)thio]-
CID 12086521
3,3,4,4,5,5,6,6,6-Nonafluorohexylsulfanylmethanol
CID 14416232
2,2,2-Trifluoroethylsulfanylmethanol
CID 53994182
4,4,5,5,5-Pentafluoropentylsulfanylmethanol
CID 59645564
4-Fluorobutylsulfanylmethanol
CID 88914492
3-(Trifluoromethylsulfanyl)propylsulfanylmethanol
CID 89127063
Hydroxymethyl(3,3,3-trifluoropropyl)sulfanium
CID 164111953
2-(3,3,3-Trifluoropropylsulfanyl)ethanol
CID 64567144
3-(Difluoromethylsulfanyl)propan-1-ol
CID 66114096
2-(4,4,4-Trifluorobutylsulfanyl)ethanol
CID 115514823

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoropropylsulfanylmethanol?
The IUPAC name of 3,3,3-trifluoropropylsulfanylmethanol (CID 59366534) is 3,3,3-trifluoropropylsulfanylmethanol.
What is the SMILES notation for 3,3,3-trifluoropropylsulfanylmethanol?
The canonical SMILES for 3,3,3-trifluoropropylsulfanylmethanol is OCSCCC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoropropylsulfanylmethanol?
The InChIKey is XXTQANVFIIJUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3OS/c5-4(6,7)1-2-9-3-8/h8H,1-3H2.
What are the key properties of 3,3,3-trifluoropropylsulfanylmethanol?
3,3,3-trifluoropropylsulfanylmethanol has a molecular weight of 160.16 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoropropylsulfanylmethanol is sourced from PubChem (CID 59366534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).