3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol

C9H13F3N4OS — CID 63901665

IUPAC3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol
SMILESOC(CSc1nnnn1C1CCCC1)C(F)(F)F
InChIInChI=1S/C9H13F3N4OS/c10-9(11,12)7(17)5-18-8-13-14-15-16(8)6-3-1-2-4-6/h6-7,17H,1-5H2
InChIKeySVMWWLODVHXVJH-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.80
Rot. Bonds4

About 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol

3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol (PubChem CID 63901665) has the molecular formula C9H13F3N4OS and a molecular weight of 282.29 g/mol. Its IUPAC name is 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol
PubChem CID63901665
Molecular FormulaC9H13F3N4OS
Molecular Weight282.29 g/mol
Exact Mass282.08
IUPAC Name3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol
SMILESOC(CSc1nnnn1C1CCCC1)C(F)(F)F
InChIInChI=1S/C9H13F3N4OS/c10-9(11,12)7(17)5-18-8-13-14-15-16(8)6-3-1-2-4-6/h6-7,17H,1-5H2
InChIKeySVMWWLODVHXVJH-UHFFFAOYSA-N
XLogP1.80
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,1,1-Trifluoro-3-(1-propan-2-yltetrazol-5-yl)sulfanylpropan-2-ol
CID 91660595
3-(1-Cyclopropyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol
CID 63901875
3-(1-Cyclohexyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol
CID 86792540
(2R)-3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol
CID 99704464
(2S)-3-(1-cyclohexyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol
CID 99704466
(2R)-1,1,1-trifluoro-3-(1-propan-2-yltetrazol-5-yl)sulfanylpropan-2-ol
CID 99704469
(2S)-1,1,1-trifluoro-3-(1-propan-2-yltetrazol-5-yl)sulfanylpropan-2-ol
CID 99704471
1-Cyclopentyl-5-(oxiran-2-ylmethylsulfanyl)tetrazole
CID 43187884
1-Amino-3-(1-cyclopentyltetrazol-5-yl)sulfanylpropan-2-ol
CID 43188125
3-((1-Cyclopentyl-1h-tetrazol-5-yl)thio)propan-1-ol
CID 43393087
2-(1-Cyclopentyltetrazol-5-yl)sulfanylethanol
CID 43393697
4-(1-Cyclopentyltetrazol-5-yl)sulfanylbutan-1-ol
CID 43510108

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol (CID 63901665) is 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol is OC(CSc1nnnn1C1CCCC1)C(F)(F)F.
What is the InChIKey of 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol?
The InChIKey is SVMWWLODVHXVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4OS/c10-9(11,12)7(17)5-18-8-13-14-15-16(8)6-3-1-2-4-6/h6-7,17H,1-5H2.
What are the key properties of 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol?
3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol has a molecular weight of 282.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63901665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).