3-(trifluoromethyl)thietane

C4H5F3S — CID 89415554

IUPAC3-(trifluoromethyl)thietane
SMILESFC(F)(F)C1CSC1
InChIInChI=1S/C4H5F3S/c5-4(6,7)3-1-8-2-3/h3H,1-2H2
InChIKeyQQIKVDVJGCZJHA-UHFFFAOYSA-N
MW142.14 g/mol
LogP1.91
Rot. Bonds

About 3-(trifluoromethyl)thietane

3-(trifluoromethyl)thietane (PubChem CID 89415554) has the molecular formula C4H5F3S and a molecular weight of 142.14 g/mol. Its IUPAC name is 3-(trifluoromethyl)thietane.

Molecular Properties

Compound Name3-(trifluoromethyl)thietane
PubChem CID89415554
Molecular FormulaC4H5F3S
Molecular Weight142.14 g/mol
Exact Mass142.01
IUPAC Name3-(trifluoromethyl)thietane
SMILESFC(F)(F)C1CSC1
InChIInChI=1S/C4H5F3S/c5-4(6,7)3-1-8-2-3/h3H,1-2H2
InChIKeyQQIKVDVJGCZJHA-UHFFFAOYSA-N
XLogP1.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.14
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-2-(thietan-3-yl)ethanol
CID 105430067
(3R,5R)-3,5-ditert-butylthiane
CID 71394451
(3S,5R)-3,5-ditert-butylthiane
CID 71358564
2,5-bis(trifluoromethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 89159384
4-(trifluoromethyl)pyrazolidine
CID 123549529
1,1-difluoro-3-(trifluoromethyl)cyclobutane
CID 149228087
1,1-difluoro-1-(thiolan-3-yl)propan-2-amine
CID 105439599
cis-(3R,5S)-3,5-bis(trifluoromethyl)cyclohexan-1-amine
CID 27808394
cis-(1S,3R)-5-(trifluoromethyl)cyclohexane-1,3-diol
CID 99986355
1-tert-butyl-4-(trifluoromethyl)cyclohexane
CID 23233590
1,1-difluoro-1-(thiolan-3-yl)propan-2-one
CID 105438720
1,4-dimethylcyclohexane;1-methyl-4-(trifluoromethyl)cyclohexane
CID 90867997

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)thietane?
The IUPAC name of 3-(trifluoromethyl)thietane (CID 89415554) is 3-(trifluoromethyl)thietane.
What is the SMILES notation for 3-(trifluoromethyl)thietane?
The canonical SMILES for 3-(trifluoromethyl)thietane is FC(F)(F)C1CSC1.
What is the InChIKey of 3-(trifluoromethyl)thietane?
The InChIKey is QQIKVDVJGCZJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3S/c5-4(6,7)3-1-8-2-3/h3H,1-2H2.
What are the key properties of 3-(trifluoromethyl)thietane?
3-(trifluoromethyl)thietane has a molecular weight of 142.14 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)thietane is sourced from PubChem (CID 89415554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).