3-[3-(trifluoromethoxy)phenyl]propan-1-ol

C10H11F3O2 — CID 53434391

IUPAC3-[3-(trifluoromethoxy)phenyl]propan-1-ol
SMILESOCCCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H11F3O2/c11-10(12,13)15-9-5-1-3-8(7-9)4-2-6-14/h1,3,5,7,14H,2,4,6H2
InChIKeyFUBCIAHXKPFUCB-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.51
Rot. Bonds4

About 3-[3-(trifluoromethoxy)phenyl]propan-1-ol

3-[3-(trifluoromethoxy)phenyl]propan-1-ol (PubChem CID 53434391) has the molecular formula C10H11F3O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is 3-[3-(trifluoromethoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(trifluoromethoxy)phenyl]propan-1-ol
PubChem CID53434391
Molecular FormulaC10H11F3O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name3-[3-(trifluoromethoxy)phenyl]propan-1-ol
SMILESOCCCc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H11F3O2/c11-10(12,13)15-9-5-1-3-8(7-9)4-2-6-14/h1,3,5,7,14H,2,4,6H2
InChIKeyFUBCIAHXKPFUCB-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[3-(trifluoromethoxy)phenyl]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-butyl-3-(trifluoromethoxy)benzene
CID 57030134
1,5-bis[3-(trifluoromethoxy)phenyl]pentan-3-one
CID 150145529
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol
CID 107302851
3-[3-(trifluoromethoxy)phenyl]propanoyl chloride
CID 22011082
ethyl 4-[3-(trifluoromethoxy)phenyl]butanoate
CID 86728216
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
1-(3-chlorobutyl)-3-(trifluoromethoxy)benzene
CID 64515626
1-[3-(trifluoromethoxy)phenyl]hexan-3-ol
CID 64513226
2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanol
CID 14794070
5-[4-(trifluoromethoxy)phenyl]pentan-1-ol
CID 174874438
1-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]propan-1-one
CID 64503594

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethoxy)phenyl]propan-1-ol?
The IUPAC name of 3-[3-(trifluoromethoxy)phenyl]propan-1-ol (CID 53434391) is 3-[3-(trifluoromethoxy)phenyl]propan-1-ol.
What is the SMILES notation for 3-[3-(trifluoromethoxy)phenyl]propan-1-ol?
The canonical SMILES for 3-[3-(trifluoromethoxy)phenyl]propan-1-ol is OCCCc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-[3-(trifluoromethoxy)phenyl]propan-1-ol?
The InChIKey is FUBCIAHXKPFUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O2/c11-10(12,13)15-9-5-1-3-8(7-9)4-2-6-14/h1,3,5,7,14H,2,4,6H2.
What are the key properties of 3-[3-(trifluoromethoxy)phenyl]propan-1-ol?
3-[3-(trifluoromethoxy)phenyl]propan-1-ol has a molecular weight of 220.19 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethoxy)phenyl]propan-1-ol is sourced from PubChem (CID 53434391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).