N-[2,2-difluoro-2-(2-fluorophenyl)ethyl]propan-1-amine

C11H14F3N — CID 83108577

IUPACN-[2,2-difluoro-2-(2-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNCC(F)(F)c1ccccc1F
InChIInChI=1S/C11H14F3N/c1-2-7-15-8-11(13,14)9-5-3-4-6-10(9)12/h3-6,15H,2,7-8H2,1H3
InChIKeyGZELKUANXHHUDJ-UHFFFAOYSA-N
MW217.23 g/mol
LogP2.92
Rot. Bonds5

About N-[2,2-difluoro-2-(2-fluorophenyl)ethyl]propan-1-amine

N-[2,2-difluoro-2-(2-fluorophenyl)ethyl]propan-1-amine (PubChem CID 83108577) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is N-[2,2-difluoro-2-(2-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,2-difluoro-2-(2-fluorophenyl)ethyl]propan-1-amine
PubChem CID83108577
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC NameN-[2,2-difluoro-2-(2-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNCC(F)(F)c1ccccc1F
InChIInChI=1S/C11H14F3N/c1-2-7-15-8-11(13,14)9-5-3-4-6-10(9)12/h3-6,15H,2,7-8H2,1H3
InChIKeyGZELKUANXHHUDJ-UHFFFAOYSA-N
XLogP2.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2,2-difluoro-2-(2-fluorophenyl)ethyl]propan-1-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

N-ethyl-2-(2-fluorophenyl)-2-methylpropan-1-amine
CID 62596416
2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]ethanol
CID 115216581
2-[(2-fluorophenyl)methyl]-2-methyl-N-propylpentan-1-amine
CID 63509772
2-[(2-fluorophenyl)methoxy]-2-methyl-N-propylpropan-1-amine
CID 63937969
2-[(2,6-difluorophenyl)methyl]-2-ethyl-N-propylbutan-1-amine
CID 114933584
2-ethyl-2-phenyl-N-propylbutan-1-amine
CID 62596576
2-ethyl-2-(2-fluorophenyl)-N-methylbutan-1-amine
CID 62596055
3,3-difluoro-3-phenyl-N-propylpropan-1-amine
CID 116790434
ethane;N-[2-(2-fluorophenyl)ethyl]propan-1-amine
CID 155737133
4,4-difluoro-4-(2-fluorophenyl)butan-2-amine
CID 105455072
(E)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylbut-3-en-1-amine
CID 107290638
N-[(2-fluorophenyl)methyl]-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
CID 62260843

Frequently Asked Questions

What is the IUPAC name of N-[2,2-difluoro-2-(2-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2,2-difluoro-2-(2-fluorophenyl)ethyl]propan-1-amine (CID 83108577) is N-[2,2-difluoro-2-(2-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2,2-difluoro-2-(2-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2,2-difluoro-2-(2-fluorophenyl)ethyl]propan-1-amine is CCCNCC(F)(F)c1ccccc1F.
What is the InChIKey of N-[2,2-difluoro-2-(2-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is GZELKUANXHHUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N/c1-2-7-15-8-11(13,14)9-5-3-4-6-10(9)12/h3-6,15H,2,7-8H2,1H3.
What are the key properties of N-[2,2-difluoro-2-(2-fluorophenyl)ethyl]propan-1-amine?
N-[2,2-difluoro-2-(2-fluorophenyl)ethyl]propan-1-amine has a molecular weight of 217.23 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-difluoro-2-(2-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 83108577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).