3-ethoxy-4,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-ol

C16H23F3O2 — CID 116713333

IUPAC3-ethoxy-4,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-ol
SMILESCCOC(C(O)Cc1cccc(C(F)(F)F)c1)C(C)(C)C
InChIInChI=1S/C16H23F3O2/c1-5-21-14(15(2,3)4)13(20)10-11-7-6-8-12(9-11)16(17,18)19/h6-9,13-14,20H,5,10H2,1-4H3
InChIKeyWEGIGFCXMBVNFW-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.06
Rot. Bonds5

About 3-ethoxy-4,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-ol

3-ethoxy-4,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-ol (PubChem CID 116713333) has the molecular formula C16H23F3O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-ethoxy-4,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-ol.

Molecular Properties

Compound Name3-ethoxy-4,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-ol
PubChem CID116713333
Molecular FormulaC16H23F3O2
Molecular Weight304.35 g/mol
Exact Mass304.17
IUPAC Name3-ethoxy-4,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-ol
SMILESCCOC(C(O)Cc1cccc(C(F)(F)F)c1)C(C)(C)C
InChIInChI=1S/C16H23F3O2/c1-5-21-14(15(2,3)4)13(20)10-11-7-6-8-12(9-11)16(17,18)19/h6-9,13-14,20H,5,10H2,1-4H3
InChIKeyWEGIGFCXMBVNFW-UHFFFAOYSA-N
XLogP4.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 79617375
3-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-ol
CID 65149566
diethyl 2-[[3-(trifluoromethyl)phenyl]methyl]propanedioate
CID 53401794
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 55095731
3-ethoxy-1-(3-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 116725273
2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol
CID 116713426
2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-ol
CID 66058572
3-ethoxy-4,4-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-ol
CID 116713429
1-[3-(trifluoromethyl)phenyl]heptan-2-ol
CID 65149247
(2R)-1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 58689696
1-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 62607876
2,2-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 78910480

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-ol?
The IUPAC name of 3-ethoxy-4,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-ol (CID 116713333) is 3-ethoxy-4,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-ol.
What is the SMILES notation for 3-ethoxy-4,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-ol?
The canonical SMILES for 3-ethoxy-4,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-ol is CCOC(C(O)Cc1cccc(C(F)(F)F)c1)C(C)(C)C.
What is the InChIKey of 3-ethoxy-4,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-ol?
The InChIKey is WEGIGFCXMBVNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3O2/c1-5-21-14(15(2,3)4)13(20)10-11-7-6-8-12(9-11)16(17,18)19/h6-9,13-14,20H,5,10H2,1-4H3.
What are the key properties of 3-ethoxy-4,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-ol?
3-ethoxy-4,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-ol has a molecular weight of 304.35 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-ol is sourced from PubChem (CID 116713333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).