(1R)-1-[3-fluoro-4-(3,3,3-trifluoropropoxy)phenyl]ethanamine

C11H13F4NO — CID 82956090

IUPAC(1R)-1-[3-fluoro-4-(3,3,3-trifluoropropoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OCCC(F)(F)F)c(F)c1
InChIInChI=1S/C11H13F4NO/c1-7(16)8-2-3-10(9(12)6-8)17-5-4-11(13,14)15/h2-3,6-7H,4-5,16H2,1H3/t7-/m1/s1
InChIKeyJCACNJOWBZWXCJ-SSDOTTSWSA-N
MW251.22 g/mol
LogP3.18
Rot. Bonds4

About (1R)-1-[3-fluoro-4-(3,3,3-trifluoropropoxy)phenyl]ethanamine

(1R)-1-[3-fluoro-4-(3,3,3-trifluoropropoxy)phenyl]ethanamine (PubChem CID 82956090) has the molecular formula C11H13F4NO and a molecular weight of 251.22 g/mol. Its IUPAC name is (1R)-1-[3-fluoro-4-(3,3,3-trifluoropropoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-fluoro-4-(3,3,3-trifluoropropoxy)phenyl]ethanamine
PubChem CID82956090
Molecular FormulaC11H13F4NO
Molecular Weight251.22 g/mol
Exact Mass251.09
IUPAC Name(1R)-1-[3-fluoro-4-(3,3,3-trifluoropropoxy)phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(OCCC(F)(F)F)c(F)c1
InChIInChI=1S/C11H13F4NO/c1-7(16)8-2-3-10(9(12)6-8)17-5-4-11(13,14)15/h2-3,6-7H,4-5,16H2,1H3/t7-/m1/s1
InChIKeyJCACNJOWBZWXCJ-SSDOTTSWSA-N
XLogP3.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4,4-dimethylpentoxy)-3-fluorophenyl]ethanamine
CID 114209334
(1R)-1-[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 104929522
1-[3-fluoro-4-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 114471761
1-[4-[(1S)-1-aminoethyl]-2-fluorophenoxy]-N,N,2-trimethylpropan-2-amine
CID 79680037
6-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]hexan-1-ol
CID 107702850
(1R)-1-[3-fluoro-4-(3-methylsulfanylpropoxy)phenyl]ethanamine
CID 104863322
(1R)-1-[3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethanamine
CID 104561031
6-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]-2,2-dimethylhexanenitrile
CID 106708892
1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine
CID 118989596
(1R)-1-[3-(3,3,3-trifluoropropoxy)phenyl]ethanamine
CID 78996560
N-ethyl-1-[3-fluoro-4-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 82787624
(1R)-1-[3-fluoro-4-(3-pyridin-4-ylpropoxy)phenyl]ethanamine
CID 29006438

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-fluoro-4-(3,3,3-trifluoropropoxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[3-fluoro-4-(3,3,3-trifluoropropoxy)phenyl]ethanamine (CID 82956090) is (1R)-1-[3-fluoro-4-(3,3,3-trifluoropropoxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[3-fluoro-4-(3,3,3-trifluoropropoxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[3-fluoro-4-(3,3,3-trifluoropropoxy)phenyl]ethanamine is C[C@@H](N)c1ccc(OCCC(F)(F)F)c(F)c1.
What is the InChIKey of (1R)-1-[3-fluoro-4-(3,3,3-trifluoropropoxy)phenyl]ethanamine?
The InChIKey is JCACNJOWBZWXCJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13F4NO/c1-7(16)8-2-3-10(9(12)6-8)17-5-4-11(13,14)15/h2-3,6-7H,4-5,16H2,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-[3-fluoro-4-(3,3,3-trifluoropropoxy)phenyl]ethanamine?
(1R)-1-[3-fluoro-4-(3,3,3-trifluoropropoxy)phenyl]ethanamine has a molecular weight of 251.22 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-fluoro-4-(3,3,3-trifluoropropoxy)phenyl]ethanamine is sourced from PubChem (CID 82956090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).