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

C11H12F4O2 — CID 106706505

IUPAC2-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
SMILESOCC(COCC(F)(F)F)c1ccccc1F
InChIInChI=1S/C11H12F4O2/c12-10-4-2-1-3-9(10)8(5-16)6-17-7-11(13,14)15/h1-4,8,16H,5-7H2
InChIKeyVONAVSNKAVLQQX-UHFFFAOYSA-N
MW252.21 g/mol
LogP2.48
Rot. Bonds5

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

2-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol (PubChem CID 106706505) has the molecular formula C11H12F4O2 and a molecular weight of 252.21 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
PubChem CID106706505
Molecular FormulaC11H12F4O2
Molecular Weight252.21 g/mol
Exact Mass252.08
IUPAC Name2-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
SMILESOCC(COCC(F)(F)F)c1ccccc1F
InChIInChI=1S/C11H12F4O2/c12-10-4-2-1-3-9(10)8(5-16)6-17-7-11(13,14)15/h1-4,8,16H,5-7H2
InChIKeyVONAVSNKAVLQQX-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 106706506
N-[2-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propyl]-2-methylpropan-2-amine
CID 106706157
2-(2-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propan-1-ol
CID 117244014
1-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 55182098
2-(2-fluorophenyl)-4-(2-methoxyethoxy)butan-1-ol
CID 79448650
3-aminooxy-2-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 105495712
(1S)-1-phenyl-2-(2,2,2-trifluoroethoxy)ethanol
CID 162372103
3-cyclopentyl-2-(2-fluorophenyl)propan-1-ol
CID 79448648
1-(2-fluorophenyl)-2-(trifluoromethoxy)ethanol
CID 54594555
2-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 117244064
bis(2-fluorophenyl)methanol
CID 18424663
1-(2,6-difluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215329

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The IUPAC name of 2-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol (CID 106706505) is 2-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol.
What is the SMILES notation for 2-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The canonical SMILES for 2-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol is OCC(COCC(F)(F)F)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The InChIKey is VONAVSNKAVLQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4O2/c12-10-4-2-1-3-9(10)8(5-16)6-17-7-11(13,14)15/h1-4,8,16H,5-7H2.
What are the key properties of 2-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
2-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol has a molecular weight of 252.21 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol is sourced from PubChem (CID 106706505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).