[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]carbamic acid

C8H6FN5O2 — CID 22396316

IUPAC[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(F)cc1-c1nn[nH]n1
InChIInChI=1S/C8H6FN5O2/c9-4-1-2-6(10-8(15)16)5(3-4)7-11-13-14-12-7/h1-3,10H,(H,15,16)(H,11,12,13,14)
InChIKeyQLIQNEGTNZHCOC-UHFFFAOYSA-N
MW223.17 g/mol
LogP1.10
Rot. Bonds2

About [4-fluoro-2-(2H-tetrazol-5-yl)phenyl]carbamic acid

[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]carbamic acid (PubChem CID 22396316) has the molecular formula C8H6FN5O2 and a molecular weight of 223.17 g/mol. Its IUPAC name is [4-fluoro-2-(2H-tetrazol-5-yl)phenyl]carbamic acid.

Molecular Properties

Compound Name[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]carbamic acid
PubChem CID22396316
Molecular FormulaC8H6FN5O2
Molecular Weight223.17 g/mol
Exact Mass223.05
IUPAC Name[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(F)cc1-c1nn[nH]n1
InChIInChI=1S/C8H6FN5O2/c9-4-1-2-6(10-8(15)16)5(3-4)7-11-13-14-12-7/h1-3,10H,(H,15,16)(H,11,12,13,14)
InChIKeyQLIQNEGTNZHCOC-UHFFFAOYSA-N
XLogP1.10
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-(2H-tetrazol-5-yl)phenyl]carbamic acid?
The IUPAC name of [4-fluoro-2-(2H-tetrazol-5-yl)phenyl]carbamic acid (CID 22396316) is [4-fluoro-2-(2H-tetrazol-5-yl)phenyl]carbamic acid.
What is the SMILES notation for [4-fluoro-2-(2H-tetrazol-5-yl)phenyl]carbamic acid?
The canonical SMILES for [4-fluoro-2-(2H-tetrazol-5-yl)phenyl]carbamic acid is O=C(O)Nc1ccc(F)cc1-c1nn[nH]n1.
What is the InChIKey of [4-fluoro-2-(2H-tetrazol-5-yl)phenyl]carbamic acid?
The InChIKey is QLIQNEGTNZHCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN5O2/c9-4-1-2-6(10-8(15)16)5(3-4)7-11-13-14-12-7/h1-3,10H,(H,15,16)(H,11,12,13,14).
What are the key properties of [4-fluoro-2-(2H-tetrazol-5-yl)phenyl]carbamic acid?
[4-fluoro-2-(2H-tetrazol-5-yl)phenyl]carbamic acid has a molecular weight of 223.17 g/mol, XLogP of 1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-(2H-tetrazol-5-yl)phenyl]carbamic acid is sourced from PubChem (CID 22396316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).