2,2,2-trifluoro-1-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine

C16H13F6NO — CID 175254129

IUPAC2,2,2-trifluoro-1-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCOc1ccc(C(N)(c2ccc(C(F)(F)F)cc2)C(F)(F)F)cc1
InChIInChI=1S/C16H13F6NO/c1-24-13-8-6-11(7-9-13)14(23,16(20,21)22)10-2-4-12(5-3-10)15(17,18)19/h2-9H,23H2,1H3
InChIKeyBGWZFXNBYHAICT-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.48
Rot. Bonds3

About 2,2,2-trifluoro-1-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine

2,2,2-trifluoro-1-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 175254129) has the molecular formula C16H13F6NO and a molecular weight of 349.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID175254129
Molecular FormulaC16H13F6NO
Molecular Weight349.27 g/mol
Exact Mass349.09
IUPAC Name2,2,2-trifluoro-1-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCOc1ccc(C(N)(c2ccc(C(F)(F)F)cc2)C(F)(F)F)cc1
InChIInChI=1S/C16H13F6NO/c1-24-13-8-6-11(7-9-13)14(23,16(20,21)22)10-2-4-12(5-3-10)15(17,18)19/h2-9H,23H2,1H3
InChIKeyBGWZFXNBYHAICT-UHFFFAOYSA-N
XLogP4.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
CID 164523179
1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
CID 175254139
(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 164523189
2-(4-methoxyphenyl)-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene
CID 46181810
1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene
CID 88568102
2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]furan
CID 132514370
(4-methoxyphenyl)-[2-[(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]phosphanyl]ethyl]-[4-(trifluoromethyl)phenyl]phosphane
CID 101475739
9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene
CID 122370617
N'-(4-methoxybenzoyl)-4-(trifluoromethyl)benzohydrazide
CID 2548088
(4-methoxyphenyl) 4-(trifluoromethyl)benzoate
CID 532480
N-ethyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 138519666
(1R,2R)-N,N'-bis(4-methoxyphenyl)-1,2-bis[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 46223762

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine (CID 175254129) is 2,2,2-trifluoro-1-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine is COc1ccc(C(N)(c2ccc(C(F)(F)F)cc2)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-1-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is BGWZFXNBYHAICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F6NO/c1-24-13-8-6-11(7-9-13)14(23,16(20,21)22)10-2-4-12(5-3-10)15(17,18)19/h2-9H,23H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine?
2,2,2-trifluoro-1-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 349.27 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 175254129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).