1-[4-[ethyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol

C12H16F3NO — CID 55010438

IUPAC1-[4-[ethyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol
SMILESCCN(CC(F)(F)F)c1ccc(C(C)O)cc1
InChIInChI=1S/C12H16F3NO/c1-3-16(8-12(13,14)15)11-6-4-10(5-7-11)9(2)17/h4-7,9,17H,3,8H2,1-2H3
InChIKeyMMKBYXJRMMNBKA-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.13
Rot. Bonds4

About 1-[4-[ethyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol

1-[4-[ethyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol (PubChem CID 55010438) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-[4-[ethyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[ethyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol
PubChem CID55010438
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name1-[4-[ethyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol
SMILESCCN(CC(F)(F)F)c1ccc(C(C)O)cc1
InChIInChI=1S/C12H16F3NO/c1-3-16(8-12(13,14)15)11-6-4-10(5-7-11)9(2)17/h4-7,9,17H,3,8H2,1-2H3
InChIKeyMMKBYXJRMMNBKA-UHFFFAOYSA-N
XLogP3.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[N-ethyl-4-[(1R)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79387539
N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 10262797
(1S)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 63371070
1-[4-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol
CID 63956428
N-ethyl-4-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)aniline
CID 55009021
(1R)-1-[5-[ethyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]propan-1-ol
CID 113355353
(1R)-1-[4-[bis(2-methylpropyl)amino]phenyl]ethanol
CID 78939931
2-[1-(ethylamino)ethyl]-5-[ethyl(2,2,2-trifluoroethyl)amino]phenol
CID 79603980
[4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylphenyl]methanol
CID 62135558
4-[(1S)-1-amino-2,2,2-trifluoroethyl]-N,N-diethylaniline
CID 66511663
4-[(1S)-1-amino-3,3,3-trifluoropropyl]-N,N-diethylaniline;hydrochloride
CID 171227547
4-(N-ethyl-4-methylanilino)-3,3-dimethylbutan-2-ol
CID 66453264

Frequently Asked Questions

What is the IUPAC name of 1-[4-[ethyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol?
The IUPAC name of 1-[4-[ethyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol (CID 55010438) is 1-[4-[ethyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[4-[ethyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol?
The canonical SMILES for 1-[4-[ethyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol is CCN(CC(F)(F)F)c1ccc(C(C)O)cc1.
What is the InChIKey of 1-[4-[ethyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol?
The InChIKey is MMKBYXJRMMNBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-3-16(8-12(13,14)15)11-6-4-10(5-7-11)9(2)17/h4-7,9,17H,3,8H2,1-2H3.
What are the key properties of 1-[4-[ethyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol?
1-[4-[ethyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol has a molecular weight of 247.26 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[ethyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol is sourced from PubChem (CID 55010438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).