5-[[(1R)-3,3-difluorocyclopentyl]methylsulfanyl]-1H-1,2,4-triazole

C8H11F2N3S — CID 129349300

IUPAC5-[[(1R)-3,3-difluorocyclopentyl]methylsulfanyl]-1H-1,2,4-triazole
SMILESFC1(F)CC[C@@H](CSc2ncn[nH]2)C1
InChIInChI=1S/C8H11F2N3S/c9-8(10)2-1-6(3-8)4-14-7-11-5-12-13-7/h5-6H,1-4H2,(H,11,12,13)/t6-/m1/s1
InChIKeyVIWFARJSEGJTFP-ZCFIWIBFSA-N
MW219.26 g/mol
LogP2.33
Rot. Bonds3

About 5-[[(1R)-3,3-difluorocyclopentyl]methylsulfanyl]-1H-1,2,4-triazole

5-[[(1R)-3,3-difluorocyclopentyl]methylsulfanyl]-1H-1,2,4-triazole (PubChem CID 129349300) has the molecular formula C8H11F2N3S and a molecular weight of 219.26 g/mol. Its IUPAC name is 5-[[(1R)-3,3-difluorocyclopentyl]methylsulfanyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[[(1R)-3,3-difluorocyclopentyl]methylsulfanyl]-1H-1,2,4-triazole
PubChem CID129349300
Molecular FormulaC8H11F2N3S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC Name5-[[(1R)-3,3-difluorocyclopentyl]methylsulfanyl]-1H-1,2,4-triazole
SMILESFC1(F)CC[C@@H](CSc2ncn[nH]2)C1
InChIInChI=1S/C8H11F2N3S/c9-8(10)2-1-6(3-8)4-14-7-11-5-12-13-7/h5-6H,1-4H2,(H,11,12,13)/t6-/m1/s1
InChIKeyVIWFARJSEGJTFP-ZCFIWIBFSA-N
XLogP2.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1R)-3,3-difluorocyclopentyl]methylsulfanyl]-1H-1,2,4-triazole?
The IUPAC name of 5-[[(1R)-3,3-difluorocyclopentyl]methylsulfanyl]-1H-1,2,4-triazole (CID 129349300) is 5-[[(1R)-3,3-difluorocyclopentyl]methylsulfanyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[[(1R)-3,3-difluorocyclopentyl]methylsulfanyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[[(1R)-3,3-difluorocyclopentyl]methylsulfanyl]-1H-1,2,4-triazole is FC1(F)CC[C@@H](CSc2ncn[nH]2)C1.
What is the InChIKey of 5-[[(1R)-3,3-difluorocyclopentyl]methylsulfanyl]-1H-1,2,4-triazole?
The InChIKey is VIWFARJSEGJTFP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11F2N3S/c9-8(10)2-1-6(3-8)4-14-7-11-5-12-13-7/h5-6H,1-4H2,(H,11,12,13)/t6-/m1/s1.
What are the key properties of 5-[[(1R)-3,3-difluorocyclopentyl]methylsulfanyl]-1H-1,2,4-triazole?
5-[[(1R)-3,3-difluorocyclopentyl]methylsulfanyl]-1H-1,2,4-triazole has a molecular weight of 219.26 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R)-3,3-difluorocyclopentyl]methylsulfanyl]-1H-1,2,4-triazole is sourced from PubChem (CID 129349300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).