(1R)-1-[3-(3,3,3-trifluoropropoxy)phenyl]ethanamine

C11H14F3NO — CID 78996560

IUPAC(1R)-1-[3-(3,3,3-trifluoropropoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1cccc(OCCC(F)(F)F)c1
InChIInChI=1S/C11H14F3NO/c1-8(15)9-3-2-4-10(7-9)16-6-5-11(12,13)14/h2-4,7-8H,5-6,15H2,1H3/t8-/m1/s1
InChIKeyCGBVONRUHVLBQE-MRVPVSSYSA-N
MW233.23 g/mol
LogP3.04
Rot. Bonds4

About (1R)-1-[3-(3,3,3-trifluoropropoxy)phenyl]ethanamine

(1R)-1-[3-(3,3,3-trifluoropropoxy)phenyl]ethanamine (PubChem CID 78996560) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is (1R)-1-[3-(3,3,3-trifluoropropoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(3,3,3-trifluoropropoxy)phenyl]ethanamine
PubChem CID78996560
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name(1R)-1-[3-(3,3,3-trifluoropropoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1cccc(OCCC(F)(F)F)c1
InChIInChI=1S/C11H14F3NO/c1-8(15)9-3-2-4-10(7-9)16-6-5-11(12,13)14/h2-4,7-8H,5-6,15H2,1H3/t8-/m1/s1
InChIKeyCGBVONRUHVLBQE-MRVPVSSYSA-N
XLogP3.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80698499
1-[3-(3,3,3-trifluoropropoxy)phenyl]propan-2-amine
CID 64566554
(1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine
CID 30071838
1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 112587902
4-[3-[(1R)-1-aminoethyl]phenoxy]-N-methyl-N-propan-2-ylbutan-2-amine
CID 134331280
1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104646853
(1R)-1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104647096
3-[3-(1-aminoethyl)phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900607
5-[3-(1-aminoethyl)phenoxy]-2,2-dimethylpentanenitrile
CID 65256729
(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanamine
CID 106450340
3-[3-[(1S)-1-aminoethyl]phenoxy]propanenitrile
CID 55255938
6-[3-[(1R)-1-aminoethyl]phenoxy]-2,2-dimethylhexanenitrile
CID 106708838

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(3,3,3-trifluoropropoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-(3,3,3-trifluoropropoxy)phenyl]ethanamine (CID 78996560) is (1R)-1-[3-(3,3,3-trifluoropropoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-(3,3,3-trifluoropropoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-(3,3,3-trifluoropropoxy)phenyl]ethanamine is C[C@@H](N)c1cccc(OCCC(F)(F)F)c1.
What is the InChIKey of (1R)-1-[3-(3,3,3-trifluoropropoxy)phenyl]ethanamine?
The InChIKey is CGBVONRUHVLBQE-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-8(15)9-3-2-4-10(7-9)16-6-5-11(12,13)14/h2-4,7-8H,5-6,15H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-[3-(3,3,3-trifluoropropoxy)phenyl]ethanamine?
(1R)-1-[3-(3,3,3-trifluoropropoxy)phenyl]ethanamine has a molecular weight of 233.23 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(3,3,3-trifluoropropoxy)phenyl]ethanamine is sourced from PubChem (CID 78996560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).