2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine

C9H10F3N — CID 60921890

IUPAC2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine
SMILESFc1cccc(CNCC(F)F)c1
InChIInChI=1S/C9H10F3N/c10-8-3-1-2-7(4-8)5-13-6-9(11)12/h1-4,9,13H,5-6H2
InChIKeyGNHVOAPUPQIIAF-UHFFFAOYSA-N
MW189.18 g/mol
LogP2.18
Rot. Bonds4

About 2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine

2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine (PubChem CID 60921890) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is 2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine
PubChem CID60921890
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine
SMILESFc1cccc(CNCC(F)F)c1
InChIInChI=1S/C9H10F3N/c10-8-3-1-2-7(4-8)5-13-6-9(11)12/h1-4,9,13H,5-6H2
InChIKeyGNHVOAPUPQIIAF-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757618
3-[(2,2-difluoroethylamino)methyl]benzoic acid
CID 103260425
N-[(3-fluorophenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252833
2-[(3-fluorophenyl)methylamino]ethanol
CID 10866749
2-[(3-fluorophenyl)methylamino]acetaldehyde
CID 115222993
1-[(3-fluorophenyl)methylamino]-4-methylpentan-2-ol
CID 103631776
2-[[(3-fluorophenyl)methylamino]methyl]-3-methylbutan-1-ol
CID 115252092
1-N-[(3-fluorophenyl)methyl]-2-N,2-N-dimethylbutane-1,2-diamine;hydrochloride
CID 115595836
1-[4-[(2,2-difluoroethylamino)methyl]-1,3-thiazol-2-yl]-3-[(3-fluorophenyl)methyl]urea
CID 86661301
N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-1-(3-fluorophenyl)methanamine
CID 122168263
3-[(3-fluorophenyl)methylamino]-2-phenylpropanenitrile
CID 64537208
3-[(3-fluorophenyl)methylamino]propan-1-ol
CID 28714303

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine (CID 60921890) is 2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine is Fc1cccc(CNCC(F)F)c1.
What is the InChIKey of 2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine?
The InChIKey is GNHVOAPUPQIIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N/c10-8-3-1-2-7(4-8)5-13-6-9(11)12/h1-4,9,13H,5-6H2.
What are the key properties of 2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine?
2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine has a molecular weight of 189.18 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 60921890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).