(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanamine

C10H11F4NO — CID 118021265

IUPAC(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanamine
SMILESCOC[C@@H](N)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C10H11F4NO/c1-16-5-9(15)6-2-3-7(8(11)4-6)10(12,13)14/h2-4,9H,5,15H2,1H3/t9-/m1/s1
InChIKeyDRFISBLBMPKEFM-SECBINFHSA-N
MW237.20 g/mol
LogP2.49
Rot. Bonds3

About (1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanamine

(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanamine (PubChem CID 118021265) has the molecular formula C10H11F4NO and a molecular weight of 237.20 g/mol. Its IUPAC name is (1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanamine.

Molecular Properties

Compound Name(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanamine
PubChem CID118021265
Molecular FormulaC10H11F4NO
Molecular Weight237.20 g/mol
Exact Mass237.08
IUPAC Name(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanamine
SMILESCOC[C@@H](N)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C10H11F4NO/c1-16-5-9(15)6-2-3-7(8(11)4-6)10(12,13)14/h2-4,9H,5,15H2,1H3/t9-/m1/s1
InChIKeyDRFISBLBMPKEFM-SECBINFHSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methoxypentan-1-amine
CID 107291749
(1R)-3,3,3-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine
CID 171209484
4,4,4-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine
CID 107289147
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 107291989
(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]pentane-1,5-diamine;hydrochloride
CID 171229067
(4R)-4-amino-4-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171209513
4-[(1S)-1-amino-2-methoxyethyl]-2,6-difluoroaniline
CID 131118509
2-(2-fluorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 107288822
(1R)-2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171209483
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 107289462
(1R)-1-(3-fluoro-4-nitrophenyl)-2-methoxyethanamine
CID 11063781
(1R)-1-(3-fluoro-4-pyrrol-1-ylphenyl)-2-methoxyethanamine
CID 125466594

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanamine?
The IUPAC name of (1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanamine (CID 118021265) is (1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanamine.
What is the SMILES notation for (1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanamine?
The canonical SMILES for (1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanamine is COC[C@@H](N)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of (1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanamine?
The InChIKey is DRFISBLBMPKEFM-SECBINFHSA-N. The full InChI is InChI=1S/C10H11F4NO/c1-16-5-9(15)6-2-3-7(8(11)4-6)10(12,13)14/h2-4,9H,5,15H2,1H3/t9-/m1/s1.
What are the key properties of (1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanamine?
(1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanamine has a molecular weight of 237.20 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanamine is sourced from PubChem (CID 118021265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).