[4-[4-(fluoromethyl)triazol-1-yl]phenyl]methanamine

C10H11FN4 — CID 83854196

IUPAC[4-[4-(fluoromethyl)triazol-1-yl]phenyl]methanamine
SMILESNCc1ccc(-n2cc(CF)nn2)cc1
InChIInChI=1S/C10H11FN4/c11-5-9-7-15(14-13-9)10-3-1-8(6-12)2-4-10/h1-4,7H,5-6,12H2
InChIKeyFDLQFAYFFRZCOO-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.20
Rot. Bonds3

About [4-[4-(fluoromethyl)triazol-1-yl]phenyl]methanamine

[4-[4-(fluoromethyl)triazol-1-yl]phenyl]methanamine (PubChem CID 83854196) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is [4-[4-(fluoromethyl)triazol-1-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[4-(fluoromethyl)triazol-1-yl]phenyl]methanamine
PubChem CID83854196
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name[4-[4-(fluoromethyl)triazol-1-yl]phenyl]methanamine
SMILESNCc1ccc(-n2cc(CF)nn2)cc1
InChIInChI=1S/C10H11FN4/c11-5-9-7-15(14-13-9)10-3-1-8(6-12)2-4-10/h1-4,7H,5-6,12H2
InChIKeyFDLQFAYFFRZCOO-UHFFFAOYSA-N
XLogP1.20
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(fluoromethyl)triazol-1-yl]phenyl]methanamine?
The IUPAC name of [4-[4-(fluoromethyl)triazol-1-yl]phenyl]methanamine (CID 83854196) is [4-[4-(fluoromethyl)triazol-1-yl]phenyl]methanamine.
What is the SMILES notation for [4-[4-(fluoromethyl)triazol-1-yl]phenyl]methanamine?
The canonical SMILES for [4-[4-(fluoromethyl)triazol-1-yl]phenyl]methanamine is NCc1ccc(-n2cc(CF)nn2)cc1.
What is the InChIKey of [4-[4-(fluoromethyl)triazol-1-yl]phenyl]methanamine?
The InChIKey is FDLQFAYFFRZCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c11-5-9-7-15(14-13-9)10-3-1-8(6-12)2-4-10/h1-4,7H,5-6,12H2.
What are the key properties of [4-[4-(fluoromethyl)triazol-1-yl]phenyl]methanamine?
[4-[4-(fluoromethyl)triazol-1-yl]phenyl]methanamine has a molecular weight of 206.22 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(fluoromethyl)triazol-1-yl]phenyl]methanamine is sourced from PubChem (CID 83854196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).