1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-2-ol

C14H19F3O3 — CID 115495880

IUPAC1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(OCCCOCC(F)(F)F)cc1
InChIInChI=1S/C14H19F3O3/c1-11(18)9-12-3-5-13(6-4-12)20-8-2-7-19-10-14(15,16)17/h3-6,11,18H,2,7-10H2,1H3
InChIKeyQJDJQEPADACXBX-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.96
Rot. Bonds8

About 1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-2-ol

1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-2-ol (PubChem CID 115495880) has the molecular formula C14H19F3O3 and a molecular weight of 292.30 g/mol. Its IUPAC name is 1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-2-ol
PubChem CID115495880
Molecular FormulaC14H19F3O3
Molecular Weight292.30 g/mol
Exact Mass292.13
IUPAC Name1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(OCCCOCC(F)(F)F)cc1
InChIInChI=1S/C14H19F3O3/c1-11(18)9-12-3-5-13(6-4-12)20-8-2-7-19-10-14(15,16)17/h3-6,11,18H,2,7-10H2,1H3
InChIKeyQJDJQEPADACXBX-UHFFFAOYSA-N
XLogP2.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-2-amine
CID 115494634
1-propan-2-yl-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzene
CID 64766053
1-[4-(3-fluoropropoxy)phenyl]propan-2-ol
CID 115495812
1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanamine
CID 61491408
N-methyl-1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-2-amine
CID 115494781
4-[4-(2-hydroxypropyl)phenoxy]butan-1-ol
CID 115495833
1-[4-(4-methoxybutoxy)phenyl]propan-2-ol
CID 104648035
1-tert-butyl-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzene
CID 64765867
5-[4-(2-hydroxypropyl)phenoxy]pentanenitrile
CID 113323096
2-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]acetic acid
CID 61492419
5-[4-(2-hydroxypropyl)phenoxy]-2,2-dimethylpentanenitrile
CID 115495729
4-(2,2,2-trifluoroethoxy)butoxybenzene
CID 23282430

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-2-ol?
The IUPAC name of 1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-2-ol (CID 115495880) is 1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-2-ol.
What is the SMILES notation for 1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-2-ol?
The canonical SMILES for 1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-2-ol is CC(O)Cc1ccc(OCCCOCC(F)(F)F)cc1.
What is the InChIKey of 1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-2-ol?
The InChIKey is QJDJQEPADACXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O3/c1-11(18)9-12-3-5-13(6-4-12)20-8-2-7-19-10-14(15,16)17/h3-6,11,18H,2,7-10H2,1H3.
What are the key properties of 1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-2-ol?
1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-2-ol has a molecular weight of 292.30 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-2-ol is sourced from PubChem (CID 115495880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).