N-[2-fluoro-5-(tetrazol-1-yl)phenyl]oxan-4-amine

C12H14FN5O — CID 54864011

IUPACN-[2-fluoro-5-(tetrazol-1-yl)phenyl]oxan-4-amine
SMILESFc1ccc(-n2cnnn2)cc1NC1CCOCC1
InChIInChI=1S/C12H14FN5O/c13-11-2-1-10(18-8-14-16-17-18)7-12(11)15-9-3-5-19-6-4-9/h1-2,7-9,15H,3-6H2
InChIKeyCBQONISFSDFVNM-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.39
Rot. Bonds3

About N-[2-fluoro-5-(tetrazol-1-yl)phenyl]oxan-4-amine

N-[2-fluoro-5-(tetrazol-1-yl)phenyl]oxan-4-amine (PubChem CID 54864011) has the molecular formula C12H14FN5O and a molecular weight of 263.28 g/mol. Its IUPAC name is N-[2-fluoro-5-(tetrazol-1-yl)phenyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-fluoro-5-(tetrazol-1-yl)phenyl]oxan-4-amine
PubChem CID54864011
Molecular FormulaC12H14FN5O
Molecular Weight263.28 g/mol
Exact Mass263.12
IUPAC NameN-[2-fluoro-5-(tetrazol-1-yl)phenyl]oxan-4-amine
SMILESFc1ccc(-n2cnnn2)cc1NC1CCOCC1
InChIInChI=1S/C12H14FN5O/c13-11-2-1-10(18-8-14-16-17-18)7-12(11)15-9-3-5-19-6-4-9/h1-2,7-9,15H,3-6H2
InChIKeyCBQONISFSDFVNM-UHFFFAOYSA-N
XLogP1.39
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]oxan-4-amine?
The IUPAC name of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]oxan-4-amine (CID 54864011) is N-[2-fluoro-5-(tetrazol-1-yl)phenyl]oxan-4-amine.
What is the SMILES notation for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]oxan-4-amine?
The canonical SMILES for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]oxan-4-amine is Fc1ccc(-n2cnnn2)cc1NC1CCOCC1.
What is the InChIKey of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]oxan-4-amine?
The InChIKey is CBQONISFSDFVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O/c13-11-2-1-10(18-8-14-16-17-18)7-12(11)15-9-3-5-19-6-4-9/h1-2,7-9,15H,3-6H2.
What are the key properties of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]oxan-4-amine?
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]oxan-4-amine has a molecular weight of 263.28 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]oxan-4-amine is sourced from PubChem (CID 54864011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).