N-fluoro-1-(2-fluorophenyl)propan-1-amine

C9H11F2N — CID 175319126

IUPACN-fluoro-1-(2-fluorophenyl)propan-1-amine
SMILESCCC(NF)c1ccccc1F
InChIInChI=1S/C9H11F2N/c1-2-9(12-11)7-5-3-4-6-8(7)10/h3-6,9,12H,2H2,1H3
InChIKeyBHVVKLASFNZSQX-UHFFFAOYSA-N
MW171.19 g/mol
LogP2.75
Rot. Bonds3

About N-fluoro-1-(2-fluorophenyl)propan-1-amine

N-fluoro-1-(2-fluorophenyl)propan-1-amine (PubChem CID 175319126) has the molecular formula C9H11F2N and a molecular weight of 171.19 g/mol. Its IUPAC name is N-fluoro-1-(2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-fluoro-1-(2-fluorophenyl)propan-1-amine
PubChem CID175319126
Molecular FormulaC9H11F2N
Molecular Weight171.19 g/mol
Exact Mass171.09
IUPAC NameN-fluoro-1-(2-fluorophenyl)propan-1-amine
SMILESCCC(NF)c1ccccc1F
InChIInChI=1S/C9H11F2N/c1-2-9(12-11)7-5-3-4-6-8(7)10/h3-6,9,12H,2H2,1H3
InChIKeyBHVVKLASFNZSQX-UHFFFAOYSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-fluoro-1-(2-fluorophenyl)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-[1-(2-fluorophenyl)propyl]pyrrol-1-amine
CID 112677047
N-[1-(2-fluorophenyl)propyl]pentan-3-amine
CID 112631369
2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676866
3-fluoro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline
CID 112676975
2-[1-(2-fluorophenyl)propylamino]acetamide
CID 112676826
(2S)-2-[1-(2-fluorophenyl)propylamino]-2-phenylethanol
CID 103948350
(R)-N-[(1R)-1-(2-fluorophenyl)propyl]-2-methylpropane-2-sulfinamide
CID 99646735
1-(2-fluorophenyl)-N-(1-thiophen-2-ylpropyl)propan-1-amine
CID 112632384
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81380238
N-[1-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)propan-1-amine
CID 115994193
3-[1-(2-fluorophenyl)propylamino]-2-methylpropanenitrile
CID 112676990
N-[1-(2-fluorophenyl)propyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210182

Frequently Asked Questions

What is the IUPAC name of N-fluoro-1-(2-fluorophenyl)propan-1-amine?
The IUPAC name of N-fluoro-1-(2-fluorophenyl)propan-1-amine (CID 175319126) is N-fluoro-1-(2-fluorophenyl)propan-1-amine.
What is the SMILES notation for N-fluoro-1-(2-fluorophenyl)propan-1-amine?
The canonical SMILES for N-fluoro-1-(2-fluorophenyl)propan-1-amine is CCC(NF)c1ccccc1F.
What is the InChIKey of N-fluoro-1-(2-fluorophenyl)propan-1-amine?
The InChIKey is BHVVKLASFNZSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N/c1-2-9(12-11)7-5-3-4-6-8(7)10/h3-6,9,12H,2H2,1H3.
What are the key properties of N-fluoro-1-(2-fluorophenyl)propan-1-amine?
N-fluoro-1-(2-fluorophenyl)propan-1-amine has a molecular weight of 171.19 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-1-(2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 175319126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).