5-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-1-(2,2,2-trifluoroethyl)tetrazole

C11H10F4N4S — CID 95275026

IUPAC5-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-1-(2,2,2-trifluoroethyl)tetrazole
SMILESC[C@@H](Sc1nnnn1CC(F)(F)F)c1ccccc1F
InChIInChI=1S/C11H10F4N4S/c1-7(8-4-2-3-5-9(8)12)20-10-16-17-18-19(10)6-11(13,14)15/h2-5,7H,6H2,1H3/t7-/m1/s1
InChIKeyNIMDVAWYUSQWMW-SSDOTTSWSA-N
MW306.29 g/mol
LogP3.23
Rot. Bonds4

About 5-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-1-(2,2,2-trifluoroethyl)tetrazole

5-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-1-(2,2,2-trifluoroethyl)tetrazole (PubChem CID 95275026) has the molecular formula C11H10F4N4S and a molecular weight of 306.29 g/mol. Its IUPAC name is 5-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-1-(2,2,2-trifluoroethyl)tetrazole.

Molecular Properties

Compound Name5-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-1-(2,2,2-trifluoroethyl)tetrazole
PubChem CID95275026
Molecular FormulaC11H10F4N4S
Molecular Weight306.29 g/mol
Exact Mass306.06
IUPAC Name5-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-1-(2,2,2-trifluoroethyl)tetrazole
SMILESC[C@@H](Sc1nnnn1CC(F)(F)F)c1ccccc1F
InChIInChI=1S/C11H10F4N4S/c1-7(8-4-2-3-5-9(8)12)20-10-16-17-18-19(10)6-11(13,14)15/h2-5,7H,6H2,1H3/t7-/m1/s1
InChIKeyNIMDVAWYUSQWMW-SSDOTTSWSA-N
XLogP3.23
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-1-(2,2,2-trifluoroethyl)tetrazole?
The IUPAC name of 5-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-1-(2,2,2-trifluoroethyl)tetrazole (CID 95275026) is 5-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-1-(2,2,2-trifluoroethyl)tetrazole.
What is the SMILES notation for 5-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-1-(2,2,2-trifluoroethyl)tetrazole?
The canonical SMILES for 5-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-1-(2,2,2-trifluoroethyl)tetrazole is C[C@@H](Sc1nnnn1CC(F)(F)F)c1ccccc1F.
What is the InChIKey of 5-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-1-(2,2,2-trifluoroethyl)tetrazole?
The InChIKey is NIMDVAWYUSQWMW-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H10F4N4S/c1-7(8-4-2-3-5-9(8)12)20-10-16-17-18-19(10)6-11(13,14)15/h2-5,7H,6H2,1H3/t7-/m1/s1.
What are the key properties of 5-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-1-(2,2,2-trifluoroethyl)tetrazole?
5-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-1-(2,2,2-trifluoroethyl)tetrazole has a molecular weight of 306.29 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(2-fluorophenyl)ethyl]sulfanyl-1-(2,2,2-trifluoroethyl)tetrazole is sourced from PubChem (CID 95275026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).