1-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol

C11H12F4O2 — CID 55182098

IUPAC1-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
SMILESOC(CCOCC(F)(F)F)c1ccccc1F
InChIInChI=1S/C11H12F4O2/c12-9-4-2-1-3-8(9)10(16)5-6-17-7-11(13,14)15/h1-4,10,16H,5-7H2
InChIKeyVRHIOVDNSJVYRN-UHFFFAOYSA-N
MW252.21 g/mol
LogP2.83
Rot. Bonds5

About 1-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol

1-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol (PubChem CID 55182098) has the molecular formula C11H12F4O2 and a molecular weight of 252.21 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
PubChem CID55182098
Molecular FormulaC11H12F4O2
Molecular Weight252.21 g/mol
Exact Mass252.08
IUPAC Name1-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
SMILESOC(CCOCC(F)(F)F)c1ccccc1F
InChIInChI=1S/C11H12F4O2/c12-9-4-2-1-3-8(9)10(16)5-6-17-7-11(13,14)15/h1-4,10,16H,5-7H2
InChIKeyVRHIOVDNSJVYRN-UHFFFAOYSA-N
XLogP2.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 103147504
5,5,5-trifluoro-1-(2-fluorophenyl)pentan-1-ol
CID 115515409
1-(2,3-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103147543
1-isoquinolin-4-yl-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103147546
2-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 106706505
1-(4-bromo-3-chloro-2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 106762188
3-ethoxy-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 105096259
1-(2-fluorophenyl)-2-(trifluoromethoxy)ethanol
CID 54594555
1-(2-fluorophenyl)-3-phenylpropan-1-ol
CID 62502803
(1S)-2-chloro-1-(2-fluorophenyl)ethanol
CID 83001661
1-(2-fluorophenyl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 107487213
1-(2,3,4,5,6-pentamethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103210081

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The IUPAC name of 1-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol (CID 55182098) is 1-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The canonical SMILES for 1-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol is OC(CCOCC(F)(F)F)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The InChIKey is VRHIOVDNSJVYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4O2/c12-9-4-2-1-3-8(9)10(16)5-6-17-7-11(13,14)15/h1-4,10,16H,5-7H2.
What are the key properties of 1-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
1-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol has a molecular weight of 252.21 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol is sourced from PubChem (CID 55182098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).