2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]benzene-1,4-diol

C12H14F3NO2 — CID 106210611

IUPAC2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]benzene-1,4-diol
SMILESCC(NC1(C(F)(F)F)CC1)c1cc(O)ccc1O
InChIInChI=1S/C12H14F3NO2/c1-7(9-6-8(17)2-3-10(9)18)16-11(4-5-11)12(13,14)15/h2-3,6-7,16-18H,4-5H2,1H3
InChIKeyFSISPJWJIPIADU-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.84
Rot. Bonds3

About 2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]benzene-1,4-diol

2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]benzene-1,4-diol (PubChem CID 106210611) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]benzene-1,4-diol
PubChem CID106210611
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]benzene-1,4-diol
SMILESCC(NC1(C(F)(F)F)CC1)c1cc(O)ccc1O
InChIInChI=1S/C12H14F3NO2/c1-7(9-6-8(17)2-3-10(9)18)16-11(4-5-11)12(13,14)15/h2-3,6-7,16-18H,4-5H2,1H3
InChIKeyFSISPJWJIPIADU-UHFFFAOYSA-N
XLogP2.84
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]phenol
CID 114158645
4-methoxy-2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]phenol
CID 106210945
2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]benzene-1,4-diol
CID 104827658
2-[1-(2,3,5,6-tetrafluoroanilino)ethyl]benzene-1,4-diol
CID 107644082
N-[1-(5-bromofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210586
2-[1-[[1-(dimethylamino)cyclobutyl]methylamino]ethyl]benzene-1,4-diol
CID 105415008
2-[1-[(2-hydroxy-2-methylpropyl)amino]ethyl]benzene-1,4-diol
CID 65102724
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210012
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 114158640
2-[1-(4-methylpentan-2-ylamino)ethyl]benzene-1,4-diol
CID 43371912
N-[1-(5-bromothiophen-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210270
2-[1-(2,4,4-trimethylpentan-2-ylamino)ethyl]benzene-1,4-diol
CID 43731188

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]benzene-1,4-diol?
The IUPAC name of 2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]benzene-1,4-diol (CID 106210611) is 2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]benzene-1,4-diol.
What is the SMILES notation for 2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]benzene-1,4-diol?
The canonical SMILES for 2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]benzene-1,4-diol is CC(NC1(C(F)(F)F)CC1)c1cc(O)ccc1O.
What is the InChIKey of 2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]benzene-1,4-diol?
The InChIKey is FSISPJWJIPIADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-7(9-6-8(17)2-3-10(9)18)16-11(4-5-11)12(13,14)15/h2-3,6-7,16-18H,4-5H2,1H3.
What are the key properties of 2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]benzene-1,4-diol?
2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]benzene-1,4-diol has a molecular weight of 261.24 g/mol, XLogP of 2.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]benzene-1,4-diol is sourced from PubChem (CID 106210611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).