2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol

C11H11F6NO2 — CID 61047319

IUPAC2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
SMILESOCC(NCC(F)(F)F)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H11F6NO2/c12-10(13,14)6-18-9(5-19)7-1-3-8(4-2-7)20-11(15,16)17/h1-4,9,18-19H,5-6H2
InChIKeyYNHNUHIMSQDWNH-UHFFFAOYSA-N
MW303.20 g/mol
LogP2.77
Rot. Bonds5

About 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol

2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol (PubChem CID 61047319) has the molecular formula C11H11F6NO2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
PubChem CID61047319
Molecular FormulaC11H11F6NO2
Molecular Weight303.20 g/mol
Exact Mass303.07
IUPAC Name2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
SMILESOCC(NCC(F)(F)F)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H11F6NO2/c12-10(13,14)6-18-9(5-19)7-1-3-8(4-2-7)20-11(15,16)17/h1-4,9,18-19H,5-6H2
InChIKeyYNHNUHIMSQDWNH-UHFFFAOYSA-N
XLogP2.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 61055835
2-(thiophen-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 61056618
2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol
CID 61047131
2-(oxolan-2-ylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 61048775
N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 114980102
(2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 86712019
2-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 61044931
(1R)-N-methyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 141191403
2-(3-chloro-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 106818131
N-[3-hydroxy-1-[4-(trifluoromethoxy)phenyl]propyl]acetamide
CID 144950554
N-ethyl-4-methyl-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine
CID 105039774
N-(2-methylprop-2-enyl)-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 114615991

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol (CID 61047319) is 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol is OCC(NCC(F)(F)F)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is YNHNUHIMSQDWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6NO2/c12-10(13,14)6-18-9(5-19)7-1-3-8(4-2-7)20-11(15,16)17/h1-4,9,18-19H,5-6H2.
What are the key properties of 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol?
2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 303.20 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 61047319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).