2,2,2-trifluoroethylsulfanylcyclopentane

C7H11F3S — CID 130682708

IUPAC2,2,2-trifluoroethylsulfanylcyclopentane
SMILESFC(F)(F)CSC1CCCC1
InChIInChI=1S/C7H11F3S/c8-7(9,10)5-11-6-3-1-2-4-6/h6H,1-5H2
InChIKeyHATHUVBSMQKNTR-UHFFFAOYSA-N
MW184.23 g/mol
LogP3.22
Rot. Bonds2

About 2,2,2-trifluoroethylsulfanylcyclopentane

2,2,2-trifluoroethylsulfanylcyclopentane (PubChem CID 130682708) has the molecular formula C7H11F3S and a molecular weight of 184.23 g/mol. Its IUPAC name is 2,2,2-trifluoroethylsulfanylcyclopentane.

Molecular Properties

Compound Name2,2,2-trifluoroethylsulfanylcyclopentane
PubChem CID130682708
Molecular FormulaC7H11F3S
Molecular Weight184.23 g/mol
Exact Mass184.05
IUPAC Name2,2,2-trifluoroethylsulfanylcyclopentane
SMILESFC(F)(F)CSC1CCCC1
InChIInChI=1S/C7H11F3S/c8-7(9,10)5-11-6-3-1-2-4-6/h6H,1-5H2
InChIKeyHATHUVBSMQKNTR-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-(2,2,2-trifluoroethylsulfanyl)cyclohexane
CID 130891059
N-(2-cyclopentylsulfanylethyl)-2,2,2-trifluoroethanamine
CID 63115831
3-cyclopentylsulfanyl-2,2-dimethylpropanenitrile
CID 164656154
[2-(bromomethyl)-2-ethylbutyl]sulfanylcyclopentane
CID 64999013
2-amino-3-cyclopentylsulfanyl-2-cyclopropylpropanamide
CID 63920663
1-cyclohexylsulfanyl-5,5,5-trifluoro-N-methylpentan-2-amine
CID 65140058
cyclohexylsulfanylmethanamine
CID 18729999
ethylsulfanylcycloheptane
CID 67666697
3-(cyclohexylsulfanylmethyl)-4,4,4-trifluorobutanal
CID 175786674
propylsulfanylcyclopentane
CID 534899
2-cyclopentylsulfanylethanamine
CID 23401603
ethylsulfanylcyclohexane;hydrate
CID 154657680

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethylsulfanylcyclopentane?
The IUPAC name of 2,2,2-trifluoroethylsulfanylcyclopentane (CID 130682708) is 2,2,2-trifluoroethylsulfanylcyclopentane.
What is the SMILES notation for 2,2,2-trifluoroethylsulfanylcyclopentane?
The canonical SMILES for 2,2,2-trifluoroethylsulfanylcyclopentane is FC(F)(F)CSC1CCCC1.
What is the InChIKey of 2,2,2-trifluoroethylsulfanylcyclopentane?
The InChIKey is HATHUVBSMQKNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3S/c8-7(9,10)5-11-6-3-1-2-4-6/h6H,1-5H2.
What are the key properties of 2,2,2-trifluoroethylsulfanylcyclopentane?
2,2,2-trifluoroethylsulfanylcyclopentane has a molecular weight of 184.23 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethylsulfanylcyclopentane is sourced from PubChem (CID 130682708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).