[4-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]methanamine;hydrochloride

C11H11ClF3N3 — CID 171392254

IUPAC[4-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(-c2cnn(C(F)F)c2)cc1F
InChIInChI=1S/C11H10F3N3.ClH/c12-10-3-7(1-2-8(10)4-15)9-5-16-17(6-9)11(13)14;/h1-3,5-6,11H,4,15H2;1H
InChIKeyUOYREMYWPVVMLV-UHFFFAOYSA-N
MW277.68 g/mol
LogP2.96
Rot. Bonds3

About [4-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]methanamine;hydrochloride

[4-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]methanamine;hydrochloride (PubChem CID 171392254) has the molecular formula C11H11ClF3N3 and a molecular weight of 277.68 g/mol. Its IUPAC name is [4-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]methanamine;hydrochloride
PubChem CID171392254
Molecular FormulaC11H11ClF3N3
Molecular Weight277.68 g/mol
Exact Mass277.06
IUPAC Name[4-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(-c2cnn(C(F)F)c2)cc1F
InChIInChI=1S/C11H10F3N3.ClH/c12-10-3-7(1-2-8(10)4-15)9-5-16-17(6-9)11(13)14;/h1-3,5-6,11H,4,15H2;1H
InChIKeyUOYREMYWPVVMLV-UHFFFAOYSA-N
XLogP2.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.68
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]methanamine;hydrochloride?
The IUPAC name of [4-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]methanamine;hydrochloride (CID 171392254) is [4-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]methanamine;hydrochloride?
The canonical SMILES for [4-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]methanamine;hydrochloride is Cl.NCc1ccc(-c2cnn(C(F)F)c2)cc1F.
What is the InChIKey of [4-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]methanamine;hydrochloride?
The InChIKey is UOYREMYWPVVMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3.ClH/c12-10-3-7(1-2-8(10)4-15)9-5-16-17(6-9)11(13)14;/h1-3,5-6,11H,4,15H2;1H.
What are the key properties of [4-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]methanamine;hydrochloride?
[4-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]methanamine;hydrochloride has a molecular weight of 277.68 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]methanamine;hydrochloride is sourced from PubChem (CID 171392254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).