3-[5-(2,6-difluorophenyl)tetrazol-1-yl]propan-1-ol

C10H10F2N4O — CID 84759516

IUPAC3-[5-(2,6-difluorophenyl)tetrazol-1-yl]propan-1-ol
SMILESOCCCn1nnnc1-c1c(F)cccc1F
InChIInChI=1S/C10H10F2N4O/c11-7-3-1-4-8(12)9(7)10-13-14-15-16(10)5-2-6-17/h1,3-4,17H,2,5-6H2
InChIKeyPKJLTVZLGRLXFQ-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.00
Rot. Bonds4

About 3-[5-(2,6-difluorophenyl)tetrazol-1-yl]propan-1-ol

3-[5-(2,6-difluorophenyl)tetrazol-1-yl]propan-1-ol (PubChem CID 84759516) has the molecular formula C10H10F2N4O and a molecular weight of 240.21 g/mol. Its IUPAC name is 3-[5-(2,6-difluorophenyl)tetrazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(2,6-difluorophenyl)tetrazol-1-yl]propan-1-ol
PubChem CID84759516
Molecular FormulaC10H10F2N4O
Molecular Weight240.21 g/mol
Exact Mass240.08
IUPAC Name3-[5-(2,6-difluorophenyl)tetrazol-1-yl]propan-1-ol
SMILESOCCCn1nnnc1-c1c(F)cccc1F
InChIInChI=1S/C10H10F2N4O/c11-7-3-1-4-8(12)9(7)10-13-14-15-16(10)5-2-6-17/h1,3-4,17H,2,5-6H2
InChIKeyPKJLTVZLGRLXFQ-UHFFFAOYSA-N
XLogP1.00
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(2-chloro-6-fluorophenyl)tetrazol-1-yl]propan-1-amine
CID 62500562
3-[5-(furan-2-yl)tetrazol-1-yl]propan-1-ol
CID 84759555
3-(5-pyridin-3-yltetrazol-1-yl)propan-1-ol
CID 84759515
4-[5-(2,4,6-trifluorophenyl)tetrazol-1-yl]butanoic acid
CID 66046763
4-[5-(2-fluorophenyl)tetrazol-1-yl]butan-1-amine
CID 84758985
3-(5-benzyltetrazol-1-yl)propan-1-ol
CID 84759521
3-[5-(2-fluoro-3-methylphenyl)tetrazol-1-yl]propan-1-amine
CID 107111665
3-[5-(4-propan-2-yloxyphenyl)tetrazol-1-yl]propan-1-ol
CID 84759531
4-[5-(2-chloro-6-fluorophenyl)tetrazol-1-yl]-2-methylbutanoic acid
CID 80541612
3-[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]propan-1-ol
CID 84759511
4-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butan-1-amine
CID 114182235
3-[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]propan-1-amine
CID 63555277

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-difluorophenyl)tetrazol-1-yl]propan-1-ol?
The IUPAC name of 3-[5-(2,6-difluorophenyl)tetrazol-1-yl]propan-1-ol (CID 84759516) is 3-[5-(2,6-difluorophenyl)tetrazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(2,6-difluorophenyl)tetrazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[5-(2,6-difluorophenyl)tetrazol-1-yl]propan-1-ol is OCCCn1nnnc1-c1c(F)cccc1F.
What is the InChIKey of 3-[5-(2,6-difluorophenyl)tetrazol-1-yl]propan-1-ol?
The InChIKey is PKJLTVZLGRLXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4O/c11-7-3-1-4-8(12)9(7)10-13-14-15-16(10)5-2-6-17/h1,3-4,17H,2,5-6H2.
What are the key properties of 3-[5-(2,6-difluorophenyl)tetrazol-1-yl]propan-1-ol?
3-[5-(2,6-difluorophenyl)tetrazol-1-yl]propan-1-ol has a molecular weight of 240.21 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,6-difluorophenyl)tetrazol-1-yl]propan-1-ol is sourced from PubChem (CID 84759516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).