1-(4-ethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-ol

C13H17F3O2 — CID 103216652

IUPAC1-(4-ethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESCCc1ccc(CC(O)COCC(F)(F)F)cc1
InChIInChI=1S/C13H17F3O2/c1-2-10-3-5-11(6-4-10)7-12(17)8-18-9-13(14,15)16/h3-6,12,17H,2,7-9H2,1H3
InChIKeyCVDRBEPLLNIWIV-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.73
Rot. Bonds6

About 1-(4-ethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-ol

1-(4-ethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-ol (PubChem CID 103216652) has the molecular formula C13H17F3O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
PubChem CID103216652
Molecular FormulaC13H17F3O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name1-(4-ethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
SMILESCCc1ccc(CC(O)COCC(F)(F)F)cc1
InChIInChI=1S/C13H17F3O2/c1-2-10-3-5-11(6-4-10)7-12(17)8-18-9-13(14,15)16/h3-6,12,17H,2,7-9H2,1H3
InChIKeyCVDRBEPLLNIWIV-UHFFFAOYSA-N
XLogP2.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-4-ethylbenzene
CID 103210637
1-(4-ethylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-ol
CID 55096279
1-methoxy-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62606366
4-(2,2,2-trifluoroethoxy)-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 103147476
1-(ethylamino)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 43166141
4-ethoxy-1-(4-ethylphenyl)butan-2-ol
CID 105080275
1-(5-bromothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 103216730
N-ethyl-1-(4-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214563
2-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diethylbenzene
CID 103211115
4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 54962007
1-quinolin-4-yl-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 103216898
1-(4-bromophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214570

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The IUPAC name of 1-(4-ethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-ol (CID 103216652) is 1-(4-ethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-ol.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The canonical SMILES for 1-(4-ethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-ol is CCc1ccc(CC(O)COCC(F)(F)F)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
The InChIKey is CVDRBEPLLNIWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O2/c1-2-10-3-5-11(6-4-10)7-12(17)8-18-9-13(14,15)16/h3-6,12,17H,2,7-9H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-ol?
1-(4-ethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-ol has a molecular weight of 262.27 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-ol is sourced from PubChem (CID 103216652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).