(1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine

C9H9F4NO — CID 28966440

IUPAC(1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine
SMILESCOc1ccc(F)cc1[C@@H](N)C(F)(F)F
InChIInChI=1S/C9H9F4NO/c1-15-7-3-2-5(10)4-6(7)8(14)9(11,12)13/h2-4,8H,14H2,1H3/t8-/m1/s1
InChIKeyBMQWJIKEXIPWGD-MRVPVSSYSA-N
MW223.17 g/mol
LogP2.40
Rot. Bonds2

About (1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine

(1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine (PubChem CID 28966440) has the molecular formula C9H9F4NO and a molecular weight of 223.17 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine
PubChem CID28966440
Molecular FormulaC9H9F4NO
Molecular Weight223.17 g/mol
Exact Mass223.06
IUPAC Name(1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine
SMILESCOc1ccc(F)cc1[C@@H](N)C(F)(F)F
InChIInChI=1S/C9H9F4NO/c1-15-7-3-2-5(10)4-6(7)8(14)9(11,12)13/h2-4,8H,14H2,1H3/t8-/m1/s1
InChIKeyBMQWJIKEXIPWGD-MRVPVSSYSA-N
XLogP2.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171241429
1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 66511237
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 56971852
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171244636
2-(1-chloro-2,2,2-trifluoroethyl)-4-fluoro-1-methoxybenzene
CID 61086434
3,3,3-trifluoro-2-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 82534391
2-ethoxy-2-ethyl-1-(5-fluoro-2-methoxyphenyl)butan-1-amine
CID 116759493
2-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-4-fluoro-1-methoxybenzene
CID 103310717
methyl (3S)-3-amino-3-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171248136
(1S)-1-(2,3-dimethoxyphenyl)-2,2,2-trifluoroethanamine
CID 66510258
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine (CID 28966440) is (1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine is COc1ccc(F)cc1[C@@H](N)C(F)(F)F.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine?
The InChIKey is BMQWJIKEXIPWGD-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9F4NO/c1-15-7-3-2-5(10)4-6(7)8(14)9(11,12)13/h2-4,8H,14H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine?
(1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine has a molecular weight of 223.17 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine is sourced from PubChem (CID 28966440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).