3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol

C14H11FN4OS — CID 949809

IUPAC3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol
SMILESOc1cccc(-n2nnnc2SCc2ccccc2F)c1
InChIInChI=1S/C14H11FN4OS/c15-13-7-2-1-4-10(13)9-21-14-16-17-18-19(14)11-5-3-6-12(20)8-11/h1-8,20H,9H2
InChIKeyZZNVPRZEYHMDHX-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.80
Rot. Bonds4

About 3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol

3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol (PubChem CID 949809) has the molecular formula C14H11FN4OS and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol.

Molecular Properties

Compound Name3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol
PubChem CID949809
Molecular FormulaC14H11FN4OS
Molecular Weight302.33 g/mol
Exact Mass302.06
IUPAC Name3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol
SMILESOc1cccc(-n2nnnc2SCc2ccccc2F)c1
InChIInChI=1S/C14H11FN4OS/c15-13-7-2-1-4-10(13)9-21-14-16-17-18-19(14)11-5-3-6-12(20)8-11/h1-8,20H,9H2
InChIKeyZZNVPRZEYHMDHX-UHFFFAOYSA-N
XLogP2.80
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol?
The IUPAC name of 3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol (CID 949809) is 3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol.
What is the SMILES notation for 3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol?
The canonical SMILES for 3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol is Oc1cccc(-n2nnnc2SCc2ccccc2F)c1.
What is the InChIKey of 3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol?
The InChIKey is ZZNVPRZEYHMDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4OS/c15-13-7-2-1-4-10(13)9-21-14-16-17-18-19(14)11-5-3-6-12(20)8-11/h1-8,20H,9H2.
What are the key properties of 3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol?
3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol has a molecular weight of 302.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2-fluorophenyl)methylsulfanyl]tetrazol-1-yl]phenol is sourced from PubChem (CID 949809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).