5-[1-(3,3,3-trifluoropropylamino)ethyl]benzene-1,3-diol

C11H14F3NO2 — CID 107706521

IUPAC5-[1-(3,3,3-trifluoropropylamino)ethyl]benzene-1,3-diol
SMILESCC(NCCC(F)(F)F)c1cc(O)cc(O)c1
InChIInChI=1S/C11H14F3NO2/c1-7(15-3-2-11(12,13)14)8-4-9(16)6-10(17)5-8/h4-7,15-17H,2-3H2,1H3
InChIKeyPXTILCBYWKRBAV-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.70
Rot. Bonds4

About 5-[1-(3,3,3-trifluoropropylamino)ethyl]benzene-1,3-diol

5-[1-(3,3,3-trifluoropropylamino)ethyl]benzene-1,3-diol (PubChem CID 107706521) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 5-[1-(3,3,3-trifluoropropylamino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-(3,3,3-trifluoropropylamino)ethyl]benzene-1,3-diol
PubChem CID107706521
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name5-[1-(3,3,3-trifluoropropylamino)ethyl]benzene-1,3-diol
SMILESCC(NCCC(F)(F)F)c1cc(O)cc(O)c1
InChIInChI=1S/C11H14F3NO2/c1-7(15-3-2-11(12,13)14)8-4-9(16)6-10(17)5-8/h4-7,15-17H,2-3H2,1H3
InChIKeyPXTILCBYWKRBAV-UHFFFAOYSA-N
XLogP2.70
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,5-dimethylphenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 81343670
3-[1-(4,4,4-trifluorobutylamino)ethyl]phenol
CID 113326927
N-[(1S)-1-(4-bromophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 81359086
3,3,3-trifluoro-N-(1-naphthalen-2-ylethyl)propan-1-amine
CID 60696710
5-[1-(2-methylsulfanylethylamino)ethyl]benzene-1,3-diol
CID 107706581
5-[1-(4-aminobutylamino)ethyl]benzene-1,3-diol
CID 107706031
5-[1-(4-hydroxypentylamino)ethyl]benzene-1,3-diol
CID 114146378
5-[1-[2-[methyl(propan-2-yl)amino]ethylamino]ethyl]benzene-1,3-diol
CID 107706480
2-[1-(3,3,3-trifluoropropylamino)ethyl]phenol
CID 63226241
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 63226050
5-[1-(3-cyclopentylpropylamino)ethyl]benzene-1,3-diol
CID 106008779
2-[1-(3,5-dihydroxyphenyl)ethylamino]ethanesulfonamide
CID 107705457

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,3,3-trifluoropropylamino)ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-(3,3,3-trifluoropropylamino)ethyl]benzene-1,3-diol (CID 107706521) is 5-[1-(3,3,3-trifluoropropylamino)ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-(3,3,3-trifluoropropylamino)ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-(3,3,3-trifluoropropylamino)ethyl]benzene-1,3-diol is CC(NCCC(F)(F)F)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-(3,3,3-trifluoropropylamino)ethyl]benzene-1,3-diol?
The InChIKey is PXTILCBYWKRBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-7(15-3-2-11(12,13)14)8-4-9(16)6-10(17)5-8/h4-7,15-17H,2-3H2,1H3.
What are the key properties of 5-[1-(3,3,3-trifluoropropylamino)ethyl]benzene-1,3-diol?
5-[1-(3,3,3-trifluoropropylamino)ethyl]benzene-1,3-diol has a molecular weight of 249.23 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,3,3-trifluoropropylamino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 107706521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).