1-(2,4-difluorophenyl)-1,1-difluoro-2-methylpropan-2-amine

C10H11F4N — CID 116839410

IUPAC1-(2,4-difluorophenyl)-1,1-difluoro-2-methylpropan-2-amine
SMILESCC(C)(N)C(F)(F)c1ccc(F)cc1F
InChIInChI=1S/C10H11F4N/c1-9(2,15)10(13,14)7-4-3-6(11)5-8(7)12/h3-5H,15H2,1-2H3
InChIKeyPQPHYXGUKXSKHS-UHFFFAOYSA-N
MW221.20 g/mol
LogP2.79
Rot. Bonds2

About 1-(2,4-difluorophenyl)-1,1-difluoro-2-methylpropan-2-amine

1-(2,4-difluorophenyl)-1,1-difluoro-2-methylpropan-2-amine (PubChem CID 116839410) has the molecular formula C10H11F4N and a molecular weight of 221.20 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-1,1-difluoro-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-1,1-difluoro-2-methylpropan-2-amine
PubChem CID116839410
Molecular FormulaC10H11F4N
Molecular Weight221.20 g/mol
Exact Mass221.08
IUPAC Name1-(2,4-difluorophenyl)-1,1-difluoro-2-methylpropan-2-amine
SMILESCC(C)(N)C(F)(F)c1ccc(F)cc1F
InChIInChI=1S/C10H11F4N/c1-9(2,15)10(13,14)7-4-3-6(11)5-8(7)12/h3-5H,15H2,1-2H3
InChIKeyPQPHYXGUKXSKHS-UHFFFAOYSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2,4-difluorophenyl)-1,1-difluoro-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phentermine
CID 4771
(+-)-Norfenfluramine
CID 15897
Phentermine Hydrochloride
CID 70969
(+-)-p-Fluoroamphetamine
CID 9986
Phenethylamine, m-trifluoromethyl-
CID 104223
2-(2-Fluorophenyl)ethylamine
CID 643357
2-[4-(Trifluoromethyl)phenyl]ethan-1-amine
CID 1988106
4-Fluoroamphetamine hydrochloride
CID 120675
2-Fluoroamphetamine
CID 121531
Pentorex
CID 22031
p-Fluorophenethylamine
CID 4653
2-(3-Fluorophenyl)ethanamine
CID 533928

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-1,1-difluoro-2-methylpropan-2-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-1,1-difluoro-2-methylpropan-2-amine (CID 116839410) is 1-(2,4-difluorophenyl)-1,1-difluoro-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-1,1-difluoro-2-methylpropan-2-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-1,1-difluoro-2-methylpropan-2-amine is CC(C)(N)C(F)(F)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-1,1-difluoro-2-methylpropan-2-amine?
The InChIKey is PQPHYXGUKXSKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4N/c1-9(2,15)10(13,14)7-4-3-6(11)5-8(7)12/h3-5H,15H2,1-2H3.
What are the key properties of 1-(2,4-difluorophenyl)-1,1-difluoro-2-methylpropan-2-amine?
1-(2,4-difluorophenyl)-1,1-difluoro-2-methylpropan-2-amine has a molecular weight of 221.20 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-1,1-difluoro-2-methylpropan-2-amine is sourced from PubChem (CID 116839410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).