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

C11H12ClF3O2 — CID 106706506

IUPAC2-(2-chlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
SMILESOCC(COCC(F)(F)F)c1ccccc1Cl
InChIInChI=1S/C11H12ClF3O2/c12-10-4-2-1-3-9(10)8(5-16)6-17-7-11(13,14)15/h1-4,8,16H,5-7H2
InChIKeyXNNIJEBZPJWPQX-UHFFFAOYSA-N
MW268.66 g/mol
LogP2.99
Rot. Bonds5

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

2-(2-chlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol (PubChem CID 106706506) has the molecular formula C11H12ClF3O2 and a molecular weight of 268.66 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
PubChem CID106706506
Molecular FormulaC11H12ClF3O2
Molecular Weight268.66 g/mol
Exact Mass268.05
IUPAC Name2-(2-chlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
SMILESOCC(COCC(F)(F)F)c1ccccc1Cl
InChIInChI=1S/C11H12ClF3O2/c12-10-4-2-1-3-9(10)8(5-16)6-17-7-11(13,14)15/h1-4,8,16H,5-7H2
InChIKeyXNNIJEBZPJWPQX-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.66
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 106706505
2-(2-chlorophenyl)-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 79437061
1-(2-chlorophenoxy)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 167743089
2-(2-chlorophenyl)-5-methoxy-5-methylhexan-1-ol
CID 103018095
3-aminooxy-2-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 105495712
1-(2,3-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103147543
(2S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol
CID 42135569
2-(2-chlorophenyl)-3-phenylmethoxypropan-1-amine
CID 102940597
1,2-dichlorobenzene;2,2,2-trifluoroethanol
CID 160821263
(1S)-1-phenyl-2-(2,2,2-trifluoroethoxy)ethanol
CID 162372103
2-(2-chlorophenyl)-3-(cyclopropylmethoxy)propan-1-amine
CID 106930930
2-(2-chlorophenyl)-4-methylhexan-1-ol
CID 79449327

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The IUPAC name of 2-(2-chlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol (CID 106706506) is 2-(2-chlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The canonical SMILES for 2-(2-chlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol is OCC(COCC(F)(F)F)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The InChIKey is XNNIJEBZPJWPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3O2/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-chlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
2-(2-chlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol has a molecular weight of 268.66 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol is sourced from PubChem (CID 106706506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).