[2-(2-fluoroethoxy)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methanamine

C11H11F4N5O — CID 89279938

IUPAC[2-(2-fluoroethoxy)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methanamine
SMILESNCc1cc(-n2nnnc2C(F)(F)F)ccc1OCCF
InChIInChI=1S/C11H11F4N5O/c12-3-4-21-9-2-1-8(5-7(9)6-16)20-10(11(13,14)15)17-18-19-20/h1-2,5H,3-4,6,16H2
InChIKeyVZVTVSNEBHYJMC-UHFFFAOYSA-N
MW305.24 g/mol
LogP1.49
Rot. Bonds5

About [2-(2-fluoroethoxy)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methanamine

[2-(2-fluoroethoxy)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methanamine (PubChem CID 89279938) has the molecular formula C11H11F4N5O and a molecular weight of 305.24 g/mol. Its IUPAC name is [2-(2-fluoroethoxy)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methanamine.

Molecular Properties

Compound Name[2-(2-fluoroethoxy)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methanamine
PubChem CID89279938
Molecular FormulaC11H11F4N5O
Molecular Weight305.24 g/mol
Exact Mass305.09
IUPAC Name[2-(2-fluoroethoxy)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methanamine
SMILESNCc1cc(-n2nnnc2C(F)(F)F)ccc1OCCF
InChIInChI=1S/C11H11F4N5O/c12-3-4-21-9-2-1-8(5-7(9)6-16)20-10(11(13,14)15)17-18-19-20/h1-2,5H,3-4,6,16H2
InChIKeyVZVTVSNEBHYJMC-UHFFFAOYSA-N
XLogP1.49
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoroethoxy)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methanamine?
The IUPAC name of [2-(2-fluoroethoxy)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methanamine (CID 89279938) is [2-(2-fluoroethoxy)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methanamine.
What is the SMILES notation for [2-(2-fluoroethoxy)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methanamine?
The canonical SMILES for [2-(2-fluoroethoxy)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methanamine is NCc1cc(-n2nnnc2C(F)(F)F)ccc1OCCF.
What is the InChIKey of [2-(2-fluoroethoxy)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methanamine?
The InChIKey is VZVTVSNEBHYJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4N5O/c12-3-4-21-9-2-1-8(5-7(9)6-16)20-10(11(13,14)15)17-18-19-20/h1-2,5H,3-4,6,16H2.
What are the key properties of [2-(2-fluoroethoxy)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methanamine?
[2-(2-fluoroethoxy)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methanamine has a molecular weight of 305.24 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoroethoxy)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methanamine is sourced from PubChem (CID 89279938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).