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

C7H9F3N4OS — CID 63901875

IUPAC3-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol
SMILESOC(CSc1nnnn1C1CC1)C(F)(F)F
InChIInChI=1S/C7H9F3N4OS/c8-7(9,10)5(15)3-16-6-11-12-13-14(6)4-1-2-4/h4-5,15H,1-3H2
InChIKeyRCRFGOXCQSGRIU-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.02
Rot. Bonds4

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

3-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol (PubChem CID 63901875) has the molecular formula C7H9F3N4OS and a molecular weight of 254.24 g/mol. Its IUPAC name is 3-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol
PubChem CID63901875
Molecular FormulaC7H9F3N4OS
Molecular Weight254.24 g/mol
Exact Mass254.04
IUPAC Name3-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol
SMILESOC(CSc1nnnn1C1CC1)C(F)(F)F
InChIInChI=1S/C7H9F3N4OS/c8-7(9,10)5(15)3-16-6-11-12-13-14(6)4-1-2-4/h4-5,15H,1-3H2
InChIKeyRCRFGOXCQSGRIU-UHFFFAOYSA-N
XLogP1.02
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol (CID 63901875) is 3-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol is OC(CSc1nnnn1C1CC1)C(F)(F)F.
What is the InChIKey of 3-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol?
The InChIKey is RCRFGOXCQSGRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4OS/c8-7(9,10)5(15)3-16-6-11-12-13-14(6)4-1-2-4/h4-5,15H,1-3H2.
What are the key properties of 3-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol?
3-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol has a molecular weight of 254.24 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropyltetrazol-5-yl)sulfanyl-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63901875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).