3-(disulfanyl)-1,1,1-trifluoropropane

C3H5F3S2 — CID 87424751

IUPAC3-(disulfanyl)-1,1,1-trifluoropropane
SMILESFC(F)(F)CCSS
InChIInChI=1S/C3H5F3S2/c4-3(5,6)1-2-8-7/h7H,1-2H2
InChIKeyGFSCMWCPFBUYNT-UHFFFAOYSA-N
MW162.20 g/mol
LogP2.52
Rot. Bonds2

About 3-(disulfanyl)-1,1,1-trifluoropropane

3-(disulfanyl)-1,1,1-trifluoropropane (PubChem CID 87424751) has the molecular formula C3H5F3S2 and a molecular weight of 162.20 g/mol. Its IUPAC name is 3-(disulfanyl)-1,1,1-trifluoropropane.

Molecular Properties

Compound Name3-(disulfanyl)-1,1,1-trifluoropropane
PubChem CID87424751
Molecular FormulaC3H5F3S2
Molecular Weight162.20 g/mol
Exact Mass161.98
IUPAC Name3-(disulfanyl)-1,1,1-trifluoropropane
SMILESFC(F)(F)CCSS
InChIInChI=1S/C3H5F3S2/c4-3(5,6)1-2-8-7/h7H,1-2H2
InChIKeyGFSCMWCPFBUYNT-UHFFFAOYSA-N
XLogP2.52
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-trifluoropropyl thiohypochlorite
CID 126694031
2-(3,3,3-trifluoropropylsulfanyl)acetonitrile
CID 86658582
bis(3,3,3-trifluoropropyl)silane
CID 123327459
3-methyl-3-(3,3,3-trifluoropropylsulfanyl)butan-2-one
CID 149114843
[4-(disulfanyl)-2-methylbutan-2-yl]-ethoxysilane
CID 151651350
2-(disulfanyl)ethanol
CID 18764697
difluoromethane;1,1,1,3-tetrafluoropropane
CID 91452847
3,3,3-tri(18F)fluoropropan-1-amine
CID 10154023
N-(3,3,3-trifluoropropylsulfanyl)dodecan-1-amine
CID 166765005
2-(3,3,3-trifluoropropylsulfanyl)aniline
CID 64564843
2-(3,3,3-trifluoropropylsulfanyl)propanoyl chloride
CID 119083017
trimethyl(3,3,3-trifluoropropyl)azanium chloride
CID 22735083

Frequently Asked Questions

What is the IUPAC name of 3-(disulfanyl)-1,1,1-trifluoropropane?
The IUPAC name of 3-(disulfanyl)-1,1,1-trifluoropropane (CID 87424751) is 3-(disulfanyl)-1,1,1-trifluoropropane.
What is the SMILES notation for 3-(disulfanyl)-1,1,1-trifluoropropane?
The canonical SMILES for 3-(disulfanyl)-1,1,1-trifluoropropane is FC(F)(F)CCSS.
What is the InChIKey of 3-(disulfanyl)-1,1,1-trifluoropropane?
The InChIKey is GFSCMWCPFBUYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3S2/c4-3(5,6)1-2-8-7/h7H,1-2H2.
What are the key properties of 3-(disulfanyl)-1,1,1-trifluoropropane?
3-(disulfanyl)-1,1,1-trifluoropropane has a molecular weight of 162.20 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(disulfanyl)-1,1,1-trifluoropropane is sourced from PubChem (CID 87424751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).