2-[1-(3,3,3-trifluoropropylamino)ethyl]phenol

C11H14F3NO — CID 63226241

IUPAC2-[1-(3,3,3-trifluoropropylamino)ethyl]phenol
SMILESCC(NCCC(F)(F)F)c1ccccc1O
InChIInChI=1S/C11H14F3NO/c1-8(15-7-6-11(12,13)14)9-4-2-3-5-10(9)16/h2-5,8,15-16H,6-7H2,1H3
InChIKeyHJVZQERJGMWAKS-UHFFFAOYSA-N
MW233.23 g/mol
LogP3.00
Rot. Bonds4

About 2-[1-(3,3,3-trifluoropropylamino)ethyl]phenol

2-[1-(3,3,3-trifluoropropylamino)ethyl]phenol (PubChem CID 63226241) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-[1-(3,3,3-trifluoropropylamino)ethyl]phenol.

Molecular Properties

Compound Name2-[1-(3,3,3-trifluoropropylamino)ethyl]phenol
PubChem CID63226241
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name2-[1-(3,3,3-trifluoropropylamino)ethyl]phenol
SMILESCC(NCCC(F)(F)F)c1ccccc1O
InChIInChI=1S/C11H14F3NO/c1-8(15-7-6-11(12,13)14)9-4-2-3-5-10(9)16/h2-5,8,15-16H,6-7H2,1H3
InChIKeyHJVZQERJGMWAKS-UHFFFAOYSA-N
XLogP3.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-(2-chlorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 81379336
3,3,3-trifluoro-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 81397407
4-[1-(4,4,4-trifluorobutylamino)ethyl]benzene-1,3-diol
CID 115516399
2-[1-(2-phenylethylamino)ethyl]phenol
CID 43194097
4-[1-(5,5,5-trifluoropentylamino)ethyl]benzene-1,3-diol
CID 115517298
2-[1-[2-[di(propan-2-yl)amino]ethylamino]ethyl]phenol
CID 43191146
N-[1-(2,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 55176100
2-[1-[2-(diethylamino)ethylamino]ethyl]phenol
CID 43194012
2-[1-(4,4,4-trifluorobutylamino)ethyl]naphthalen-1-ol
CID 115516053
2-[1-(2-cyclohexylethylamino)ethyl]phenol
CID 54931684
4,4,4-trifluoro-N-[(1S)-1-(2-methoxyphenyl)ethyl]butan-1-amine
CID 113326391
4,4,4-trifluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]butan-1-amine
CID 115513840

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3,3-trifluoropropylamino)ethyl]phenol?
The IUPAC name of 2-[1-(3,3,3-trifluoropropylamino)ethyl]phenol (CID 63226241) is 2-[1-(3,3,3-trifluoropropylamino)ethyl]phenol.
What is the SMILES notation for 2-[1-(3,3,3-trifluoropropylamino)ethyl]phenol?
The canonical SMILES for 2-[1-(3,3,3-trifluoropropylamino)ethyl]phenol is CC(NCCC(F)(F)F)c1ccccc1O.
What is the InChIKey of 2-[1-(3,3,3-trifluoropropylamino)ethyl]phenol?
The InChIKey is HJVZQERJGMWAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-8(15-7-6-11(12,13)14)9-4-2-3-5-10(9)16/h2-5,8,15-16H,6-7H2,1H3.
What are the key properties of 2-[1-(3,3,3-trifluoropropylamino)ethyl]phenol?
2-[1-(3,3,3-trifluoropropylamino)ethyl]phenol has a molecular weight of 233.23 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3,3-trifluoropropylamino)ethyl]phenol is sourced from PubChem (CID 63226241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).