3-[3-(trifluoromethyl)phenoxy]propan-1-ol

C10H11F3O2 — CID 67274409

IUPAC3-[3-(trifluoromethyl)phenoxy]propan-1-ol
SMILESOCCCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H11F3O2/c11-10(12,13)8-3-1-4-9(7-8)15-6-2-5-14/h1,3-4,7,14H,2,5-6H2
InChIKeyNUTHYOOZFLOXQH-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.47
Rot. Bonds4

About 3-[3-(trifluoromethyl)phenoxy]propan-1-ol

3-[3-(trifluoromethyl)phenoxy]propan-1-ol (PubChem CID 67274409) has the molecular formula C10H11F3O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenoxy]propan-1-ol.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenoxy]propan-1-ol
PubChem CID67274409
Molecular FormulaC10H11F3O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name3-[3-(trifluoromethyl)phenoxy]propan-1-ol
SMILESOCCCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H11F3O2/c11-10(12,13)8-3-1-4-9(7-8)15-6-2-5-14/h1,3-4,7,14H,2,5-6H2
InChIKeyNUTHYOOZFLOXQH-UHFFFAOYSA-N
XLogP2.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[3-(trifluoromethyl)phenoxy]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
1-(3-hydroxypropyl)-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]urea
CID 110894379
4-[3-(trifluoromethyl)phenoxy]butanal
CID 175942247
3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline
CID 43366096
1-(3,3-dimethylbutoxy)-3-(trifluoromethyl)benzene
CID 58044614
3-[3-(trifluoromethyl)phenoxy]propanamide
CID 55207241
1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene
CID 2283088
1-(3-propan-2-ylsulfanylpropoxy)-3-(trifluoromethyl)benzene
CID 71429774
2,2-dimethyl-5-[3-(trifluoromethyl)phenoxy]pentan-1-amine
CID 65256118
6-[3,5-bis(trifluoromethyl)phenoxy]hexan-1-ol
CID 90004068
N,N-diethyl-2-[3-(trifluoromethyl)phenoxy]ethanamine
CID 2993848
N-[2-[3-(trifluoromethyl)phenoxy]ethyl]aniline
CID 62597659

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenoxy]propan-1-ol?
The IUPAC name of 3-[3-(trifluoromethyl)phenoxy]propan-1-ol (CID 67274409) is 3-[3-(trifluoromethyl)phenoxy]propan-1-ol.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenoxy]propan-1-ol?
The canonical SMILES for 3-[3-(trifluoromethyl)phenoxy]propan-1-ol is OCCCOc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenoxy]propan-1-ol?
The InChIKey is NUTHYOOZFLOXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O2/c11-10(12,13)8-3-1-4-9(7-8)15-6-2-5-14/h1,3-4,7,14H,2,5-6H2.
What are the key properties of 3-[3-(trifluoromethyl)phenoxy]propan-1-ol?
3-[3-(trifluoromethyl)phenoxy]propan-1-ol has a molecular weight of 220.19 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenoxy]propan-1-ol is sourced from PubChem (CID 67274409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).