3-(2,2-difluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-amine

C12H14F5NO — CID 103148910

IUPAC3-(2,2-difluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-amine
SMILESNC(CCOCC(F)F)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F5NO/c13-11(14)7-19-6-5-10(18)8-3-1-2-4-9(8)12(15,16)17/h1-4,10-11H,5-7,18H2
InChIKeyBLDJOOROCWVWHJ-UHFFFAOYSA-N
MW283.24 g/mol
LogP3.38
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-amine

3-(2,2-difluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 103148910) has the molecular formula C12H14F5NO and a molecular weight of 283.24 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID103148910
Molecular FormulaC12H14F5NO
Molecular Weight283.24 g/mol
Exact Mass283.10
IUPAC Name3-(2,2-difluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-amine
SMILESNC(CCOCC(F)F)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F5NO/c13-11(14)7-19-6-5-10(18)8-3-1-2-4-9(8)12(15,16)17/h1-4,10-11H,5-7,18H2
InChIKeyBLDJOOROCWVWHJ-UHFFFAOYSA-N
XLogP3.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 13034547
(1S)-3,3-difluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313078
(1R)-3,3-difluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313711
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163
(1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 103693880
1-[2-(trifluoromethyl)phenyl]decan-1-amine
CID 115831210
3-(2,2-difluoroethoxy)-1-isoquinolin-4-ylpropan-1-amine
CID 103149098
2-amino-2-[2-(trifluoromethyl)phenyl]ethanol;methane
CID 160725618
3-(2,2-difluoroethoxy)-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol
CID 103147785
3-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 103147504
3-(2,2-difluoroethoxy)-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 103149128
2-(oxetan-3-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 107524036

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-amine (CID 103148910) is 3-(2,2-difluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-amine is NC(CCOCC(F)F)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is BLDJOOROCWVWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F5NO/c13-11(14)7-19-6-5-10(18)8-3-1-2-4-9(8)12(15,16)17/h1-4,10-11H,5-7,18H2.
What are the key properties of 3-(2,2-difluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-amine?
3-(2,2-difluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 283.24 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 103148910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).