2-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]heptan-2-ol

C14H19FN4O — CID 155675461

IUPAC2-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]heptan-2-ol
SMILESCCCCCC(C)(O)c1ccc(F)cc1-c1nn[nH]n1
InChIInChI=1S/C14H19FN4O/c1-3-4-5-8-14(2,20)12-7-6-10(15)9-11(12)13-16-18-19-17-13/h6-7,9,20H,3-5,8H2,1-2H3,(H,16,17,18,19)
InChIKeyNTQFOUNKOGMHPA-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.79
Rot. Bonds6

About 2-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]heptan-2-ol

2-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]heptan-2-ol (PubChem CID 155675461) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]heptan-2-ol.

Molecular Properties

Compound Name2-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]heptan-2-ol
PubChem CID155675461
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC Name2-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]heptan-2-ol
SMILESCCCCCC(C)(O)c1ccc(F)cc1-c1nn[nH]n1
InChIInChI=1S/C14H19FN4O/c1-3-4-5-8-14(2,20)12-7-6-10(15)9-11(12)13-16-18-19-17-13/h6-7,9,20H,3-5,8H2,1-2H3,(H,16,17,18,19)
InChIKeyNTQFOUNKOGMHPA-UHFFFAOYSA-N
XLogP2.79
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]heptan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]heptan-2-ol?
The IUPAC name of 2-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]heptan-2-ol (CID 155675461) is 2-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]heptan-2-ol.
What is the SMILES notation for 2-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]heptan-2-ol?
The canonical SMILES for 2-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]heptan-2-ol is CCCCCC(C)(O)c1ccc(F)cc1-c1nn[nH]n1.
What is the InChIKey of 2-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]heptan-2-ol?
The InChIKey is NTQFOUNKOGMHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O/c1-3-4-5-8-14(2,20)12-7-6-10(15)9-11(12)13-16-18-19-17-13/h6-7,9,20H,3-5,8H2,1-2H3,(H,16,17,18,19).
What are the key properties of 2-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]heptan-2-ol?
2-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]heptan-2-ol has a molecular weight of 278.33 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]heptan-2-ol is sourced from PubChem (CID 155675461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).