3-[2-(1,2,2-trifluoroethylamino)propyl]phenol

C11H14F3NO — CID 175392255

IUPAC3-[2-(1,2,2-trifluoroethylamino)propyl]phenol
SMILESCC(Cc1cccc(O)c1)NC(F)C(F)F
InChIInChI=1S/C11H14F3NO/c1-7(15-11(14)10(12)13)5-8-3-2-4-9(16)6-8/h2-4,6-7,10-11,15-16H,5H2,1H3
InChIKeyHINOXAAVQGQMFO-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.47
Rot. Bonds5

About 3-[2-(1,2,2-trifluoroethylamino)propyl]phenol

3-[2-(1,2,2-trifluoroethylamino)propyl]phenol (PubChem CID 175392255) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-[2-(1,2,2-trifluoroethylamino)propyl]phenol.

Molecular Properties

Compound Name3-[2-(1,2,2-trifluoroethylamino)propyl]phenol
PubChem CID175392255
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name3-[2-(1,2,2-trifluoroethylamino)propyl]phenol
SMILESCC(Cc1cccc(O)c1)NC(F)C(F)F
InChIInChI=1S/C11H14F3NO/c1-7(15-11(14)10(12)13)5-8-3-2-4-9(16)6-8/h2-4,6-7,10-11,15-16H,5H2,1H3
InChIKeyHINOXAAVQGQMFO-UHFFFAOYSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(3-phenylmethoxyphenyl)-N-(1,2,2-trifluoroethyl)propan-2-amine
CID 175392263
3-(2-sulfanylpropyl)phenol
CID 115013475
3-(2-fluoro-3-hydroxypropyl)phenol
CID 105434418
3-(2-nitropropyl)phenol
CID 55250663
3,3,3-trifluoro-2-hydroxy-N-[1-(3-hydroxyphenyl)propan-2-yl]-2-methylpropanamide
CID 171697825
3-[3-(hydroxymethyl)-4-(3-hydroxyphenyl)-2-methylbutyl]phenol
CID 142337153
3-(3-fluorobutyl)phenol
CID 84653086
3-[[[(2S)-1-(2,6-difluorophenyl)propan-2-yl]amino]methyl]phenol
CID 93362092
3-[(butan-2-ylamino)methyl]phenol
CID 43177331
3-(3-hydroxy-2-methylpentyl)phenol
CID 19426978
3-(3-amino-2-methyl-3-phenylpropyl)phenol
CID 113460077
3-[1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]ethyl]phenol
CID 107860727

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,2,2-trifluoroethylamino)propyl]phenol?
The IUPAC name of 3-[2-(1,2,2-trifluoroethylamino)propyl]phenol (CID 175392255) is 3-[2-(1,2,2-trifluoroethylamino)propyl]phenol.
What is the SMILES notation for 3-[2-(1,2,2-trifluoroethylamino)propyl]phenol?
The canonical SMILES for 3-[2-(1,2,2-trifluoroethylamino)propyl]phenol is CC(Cc1cccc(O)c1)NC(F)C(F)F.
What is the InChIKey of 3-[2-(1,2,2-trifluoroethylamino)propyl]phenol?
The InChIKey is HINOXAAVQGQMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-7(15-11(14)10(12)13)5-8-3-2-4-9(16)6-8/h2-4,6-7,10-11,15-16H,5H2,1H3.
What are the key properties of 3-[2-(1,2,2-trifluoroethylamino)propyl]phenol?
3-[2-(1,2,2-trifluoroethylamino)propyl]phenol has a molecular weight of 233.23 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,2,2-trifluoroethylamino)propyl]phenol is sourced from PubChem (CID 175392255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).