(1R)-1-[5-fluoro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanamine

C11H12F5NO — CID 29004893

IUPAC(1R)-1-[5-fluoro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1cc(F)ccc1OCC(F)(F)C(F)F
InChIInChI=1S/C11H12F5NO/c1-6(17)8-4-7(12)2-3-9(8)18-5-11(15,16)10(13)14/h2-4,6,10H,5,17H2,1H3/t6-/m1/s1
InChIKeyMHGDUBBQJNJZMK-ZCFIWIBFSA-N
MW269.21 g/mol
LogP3.12
Rot. Bonds5

About (1R)-1-[5-fluoro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanamine

(1R)-1-[5-fluoro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanamine (PubChem CID 29004893) has the molecular formula C11H12F5NO and a molecular weight of 269.21 g/mol. Its IUPAC name is (1R)-1-[5-fluoro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-fluoro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanamine
PubChem CID29004893
Molecular FormulaC11H12F5NO
Molecular Weight269.21 g/mol
Exact Mass269.08
IUPAC Name(1R)-1-[5-fluoro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1cc(F)ccc1OCC(F)(F)C(F)F
InChIInChI=1S/C11H12F5NO/c1-6(17)8-4-7(12)2-3-9(8)18-5-11(15,16)10(13)14/h2-4,6,10H,5,17H2,1H3/t6-/m1/s1
InChIKeyMHGDUBBQJNJZMK-ZCFIWIBFSA-N
XLogP3.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 129387984
1-[5-fluoro-2-(2-phenylethoxy)phenyl]ethanamine
CID 43128588
(1R)-1-[2-bromo-4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanamine
CID 114069400
1-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-2-methylpropan-2-ol
CID 78935976
(1S)-1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanamine
CID 29003282
1-[5-fluoro-2-(4-methylpentan-2-yloxy)phenyl]ethanamine
CID 43189068
6-[2-(1-aminoethyl)-4-fluorophenoxy]-2,2-dimethylhexanenitrile
CID 106708861

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-fluoro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[5-fluoro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanamine (CID 29004893) is (1R)-1-[5-fluoro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-fluoro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[5-fluoro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanamine is C[C@@H](N)c1cc(F)ccc1OCC(F)(F)C(F)F.
What is the InChIKey of (1R)-1-[5-fluoro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanamine?
The InChIKey is MHGDUBBQJNJZMK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H12F5NO/c1-6(17)8-4-7(12)2-3-9(8)18-5-11(15,16)10(13)14/h2-4,6,10H,5,17H2,1H3/t6-/m1/s1.
What are the key properties of (1R)-1-[5-fluoro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanamine?
(1R)-1-[5-fluoro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanamine has a molecular weight of 269.21 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-fluoro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanamine is sourced from PubChem (CID 29004893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).