3-(3,3,3-trifluoropropylsulfanylmethyl)oxolane

C8H13F3OS — CID 46836222

IUPAC3-(3,3,3-trifluoropropylsulfanylmethyl)oxolane
SMILESFC(F)(F)CCSCC1CCOC1
InChIInChI=1S/C8H13F3OS/c9-8(10,11)2-4-13-6-7-1-3-12-5-7/h7H,1-6H2
InChIKeyDGJQEZJTGRWHDN-UHFFFAOYSA-N
MW214.25 g/mol
LogP2.71
Rot. Bonds4

About 3-(3,3,3-trifluoropropylsulfanylmethyl)oxolane

3-(3,3,3-trifluoropropylsulfanylmethyl)oxolane (PubChem CID 46836222) has the molecular formula C8H13F3OS and a molecular weight of 214.25 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropylsulfanylmethyl)oxolane.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropylsulfanylmethyl)oxolane
PubChem CID46836222
Molecular FormulaC8H13F3OS
Molecular Weight214.25 g/mol
Exact Mass214.06
IUPAC Name3-(3,3,3-trifluoropropylsulfanylmethyl)oxolane
SMILESFC(F)(F)CCSCC1CCOC1
InChIInChI=1S/C8H13F3OS/c9-8(10,11)2-4-13-6-7-1-3-12-5-7/h7H,1-6H2
InChIKeyDGJQEZJTGRWHDN-UHFFFAOYSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(ethylsulfanylmethyl)oxolane
CID 130928771
3,3,3-trifluoro-N-[2-(oxolan-3-yl)ethyl]propan-1-amine
CID 102672424
2,2-difluoro-3-(oxolan-3-yl)propanoic acid
CID 105438514
5,5,5-trifluoro-1-(oxolan-3-yl)pentan-2-amine
CID 103986661
2-prop-2-ynyl-4-(3,3,3-trifluoropropylsulfanylmethyl)oxolane
CID 46836223
6,6,6-trifluoro-1-(oxolan-3-yl)hexan-2-amine
CID 103986760
2-(oxan-4-ylmethylsulfanyl)ethanamine
CID 62385701
2-(oxan-4-ylmethylsulfanyl)ethanol
CID 62385533
3-(cyclohexylsulfanylmethyl)oxolane
CID 127013309
N-(3,3,3-trifluoropropyl)oxolan-3-amine
CID 63335110
(3S)-3-(2,2-dimethylpropyl)oxolane
CID 139100718
3-(bromomethyl)oxolane
CID 14173422

Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropylsulfanylmethyl)oxolane?
The IUPAC name of 3-(3,3,3-trifluoropropylsulfanylmethyl)oxolane (CID 46836222) is 3-(3,3,3-trifluoropropylsulfanylmethyl)oxolane.
What is the SMILES notation for 3-(3,3,3-trifluoropropylsulfanylmethyl)oxolane?
The canonical SMILES for 3-(3,3,3-trifluoropropylsulfanylmethyl)oxolane is FC(F)(F)CCSCC1CCOC1.
What is the InChIKey of 3-(3,3,3-trifluoropropylsulfanylmethyl)oxolane?
The InChIKey is DGJQEZJTGRWHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3OS/c9-8(10,11)2-4-13-6-7-1-3-12-5-7/h7H,1-6H2.
What are the key properties of 3-(3,3,3-trifluoropropylsulfanylmethyl)oxolane?
3-(3,3,3-trifluoropropylsulfanylmethyl)oxolane has a molecular weight of 214.25 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropylsulfanylmethyl)oxolane is sourced from PubChem (CID 46836222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).