(1R)-1-[2-fluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]ethanamine

C11H10F7NO — CID 102722399

IUPAC(1R)-1-[2-fluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]ethanamine
SMILESC[C@@H](N)c1c(F)cccc1OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H10F7NO/c1-5(19)8-6(12)3-2-4-7(8)20-9(10(13,14)15)11(16,17)18/h2-5,9H,19H2,1H3/t5-/m1/s1
InChIKeyXVSIZVCHHKYMMB-RXMQYKEDSA-N
MW305.19 g/mol
LogP3.72
Rot. Bonds3

About (1R)-1-[2-fluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]ethanamine

(1R)-1-[2-fluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]ethanamine (PubChem CID 102722399) has the molecular formula C11H10F7NO and a molecular weight of 305.19 g/mol. Its IUPAC name is (1R)-1-[2-fluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-fluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]ethanamine
PubChem CID102722399
Molecular FormulaC11H10F7NO
Molecular Weight305.19 g/mol
Exact Mass305.07
IUPAC Name(1R)-1-[2-fluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]ethanamine
SMILESC[C@@H](N)c1c(F)cccc1OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H10F7NO/c1-5(19)8-6(12)3-2-4-7(8)20-9(10(13,14)15)11(16,17)18/h2-5,9H,19H2,1H3/t5-/m1/s1
InChIKeyXVSIZVCHHKYMMB-RXMQYKEDSA-N
XLogP3.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-1-[2-fluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 43128559
(1S)-1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 82788790
(1R)-1-[2-fluoro-6-(2-fluoro-3-methylphenoxy)phenyl]ethanamine
CID 107658794
1-[2-fluoro-6-(3-fluorophenoxy)phenyl]ethanamine
CID 43189230
(1R)-1-[2-(3-chloro-2-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 104892670
1-[2-(4-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine
CID 107665361
(1S)-1-[2-[2-(dimethylamino)ethoxy]-6-fluorophenyl]ethanamine
CID 78938210
1-[2-fluoro-6-[(2-fluorophenyl)methoxy]phenyl]ethanamine
CID 63935120
1-[2-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)phenyl]-N-methylethanamine
CID 66277200
1-[2-(3-chlorophenoxy)-6-fluorophenyl]ethanamine
CID 43189220
1-[2-fluoro-6-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109317
1-[2-(4-bromo-2-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 43123461

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-fluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]ethanamine?
The IUPAC name of (1R)-1-[2-fluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]ethanamine (CID 102722399) is (1R)-1-[2-fluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[2-fluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[2-fluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]ethanamine is C[C@@H](N)c1c(F)cccc1OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (1R)-1-[2-fluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]ethanamine?
The InChIKey is XVSIZVCHHKYMMB-RXMQYKEDSA-N. The full InChI is InChI=1S/C11H10F7NO/c1-5(19)8-6(12)3-2-4-7(8)20-9(10(13,14)15)11(16,17)18/h2-5,9H,19H2,1H3/t5-/m1/s1.
What are the key properties of (1R)-1-[2-fluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]ethanamine?
(1R)-1-[2-fluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]ethanamine has a molecular weight of 305.19 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-fluoro-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]ethanamine is sourced from PubChem (CID 102722399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).