4-fluoro-1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroinden-1-ol

C12H13FN4O — CID 107046342

IUPAC4-fluoro-1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroinden-1-ol
SMILESCn1nnc(CC2(O)CCc3c(F)cccc32)n1
InChIInChI=1S/C12H13FN4O/c1-17-15-11(14-16-17)7-12(18)6-5-8-9(12)3-2-4-10(8)13/h2-4,18H,5-7H2,1H3
InChIKeyMBDMHRKVOMOEOY-UHFFFAOYSA-N
MW248.26 g/mol
LogP0.73
Rot. Bonds2

About 4-fluoro-1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroinden-1-ol

4-fluoro-1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroinden-1-ol (PubChem CID 107046342) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 4-fluoro-1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name4-fluoro-1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroinden-1-ol
PubChem CID107046342
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name4-fluoro-1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroinden-1-ol
SMILESCn1nnc(CC2(O)CCc3c(F)cccc32)n1
InChIInChI=1S/C12H13FN4O/c1-17-15-11(14-16-17)7-12(18)6-5-8-9(12)3-2-4-10(8)13/h2-4,18H,5-7H2,1H3
InChIKeyMBDMHRKVOMOEOY-UHFFFAOYSA-N
XLogP0.73
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroinden-1-ol?
The IUPAC name of 4-fluoro-1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroinden-1-ol (CID 107046342) is 4-fluoro-1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 4-fluoro-1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 4-fluoro-1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroinden-1-ol is Cn1nnc(CC2(O)CCc3c(F)cccc32)n1.
What is the InChIKey of 4-fluoro-1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroinden-1-ol?
The InChIKey is MBDMHRKVOMOEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-17-15-11(14-16-17)7-12(18)6-5-8-9(12)3-2-4-10(8)13/h2-4,18H,5-7H2,1H3.
What are the key properties of 4-fluoro-1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroinden-1-ol?
4-fluoro-1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroinden-1-ol has a molecular weight of 248.26 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[(2-methyltetrazol-5-yl)methyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 107046342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).