(1S)-2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethanamine

C9H7F6NO — CID 66511880

IUPAC(1S)-2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethanamine
SMILESN[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C9H7F6NO/c10-8(11,12)7(16)5-1-3-6(4-2-5)17-9(13,14)15/h1-4,7H,16H2/t7-/m0/s1
InChIKeyOXSICALTKBOYQS-ZETCQYMHSA-N
MW259.15 g/mol
LogP3.15
Rot. Bonds2

About (1S)-2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethanamine

(1S)-2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 66511880) has the molecular formula C9H7F6NO and a molecular weight of 259.15 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethanamine
PubChem CID66511880
Molecular FormulaC9H7F6NO
Molecular Weight259.15 g/mol
Exact Mass259.04
IUPAC Name(1S)-2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethanamine
SMILESN[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C9H7F6NO/c10-8(11,12)7(16)5-1-3-6(4-2-5)17-9(13,14)15/h1-4,7H,16H2/t7-/m0/s1
InChIKeyOXSICALTKBOYQS-ZETCQYMHSA-N
XLogP3.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 86346348
(2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 86712019
(1S)-2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
CID 171250019
2-amino-2-[4-(trifluoromethoxy)phenyl]acetaldehyde
CID 90042234
(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171245927
(1S)-1-[4-(4-bromophenoxy)phenyl]-2,2,2-trifluoroethanamine
CID 66510442
(1S)-3-fluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 171227277
(1R)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 103693878
(1S)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
CID 171227274
2-methyl-1-[4-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 105005386
4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine
CID 104992805
(1R)-4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine
CID 171207695

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of (1S)-2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethanamine (CID 66511880) is (1S)-2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethanamine is N[C@@H](c1ccc(OC(F)(F)F)cc1)C(F)(F)F.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is OXSICALTKBOYQS-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H7F6NO/c10-8(11,12)7(16)5-1-3-6(4-2-5)17-9(13,14)15/h1-4,7H,16H2/t7-/m0/s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethanamine?
(1S)-2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 259.15 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 66511880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).