N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-methyloxolan-3-amine

C12H14FN5O — CID 82727708

IUPACN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-methyloxolan-3-amine
SMILESCC1OCCC1Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C12H14FN5O/c1-8-11(4-5-19-8)15-12-6-9(2-3-10(12)13)18-7-14-16-17-18/h2-3,6-8,11,15H,4-5H2,1H3
InChIKeySFYDBYCHTAOJIA-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.39
Rot. Bonds3

About N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-methyloxolan-3-amine

N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-methyloxolan-3-amine (PubChem CID 82727708) 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]-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-methyloxolan-3-amine
PubChem CID82727708
Molecular FormulaC12H14FN5O
Molecular Weight263.28 g/mol
Exact Mass263.12
IUPAC NameN-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-methyloxolan-3-amine
SMILESCC1OCCC1Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C12H14FN5O/c1-8-11(4-5-19-8)15-12-6-9(2-3-10(12)13)18-7-14-16-17-18/h2-3,6-8,11,15H,4-5H2,1H3
InChIKeySFYDBYCHTAOJIA-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]-2-methyloxolan-3-amine?
The IUPAC name of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-methyloxolan-3-amine (CID 82727708) is N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-methyloxolan-3-amine.
What is the SMILES notation for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-methyloxolan-3-amine?
The canonical SMILES for N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-methyloxolan-3-amine is CC1OCCC1Nc1cc(-n2cnnn2)ccc1F.
What is the InChIKey of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-methyloxolan-3-amine?
The InChIKey is SFYDBYCHTAOJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O/c1-8-11(4-5-19-8)15-12-6-9(2-3-10(12)13)18-7-14-16-17-18/h2-3,6-8,11,15H,4-5H2,1H3.
What are the key properties of N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-methyloxolan-3-amine?
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-methyloxolan-3-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]-2-methyloxolan-3-amine is sourced from PubChem (CID 82727708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).