1-(4-ethoxyphenyl)-4,4,4-trifluorobutan-1-ol

C12H15F3O2 — CID 64567192

IUPAC1-(4-ethoxyphenyl)-4,4,4-trifluorobutan-1-ol
SMILESCCOc1ccc(C(O)CCC(F)(F)F)cc1
InChIInChI=1S/C12H15F3O2/c1-2-17-10-5-3-9(4-6-10)11(16)7-8-12(13,14)15/h3-6,11,16H,2,7-8H2,1H3
InChIKeyPPYAKANQDGWGOH-UHFFFAOYSA-N
MW248.24 g/mol
LogP3.46
Rot. Bonds5

About 1-(4-ethoxyphenyl)-4,4,4-trifluorobutan-1-ol

1-(4-ethoxyphenyl)-4,4,4-trifluorobutan-1-ol (PubChem CID 64567192) has the molecular formula C12H15F3O2 and a molecular weight of 248.24 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-4,4,4-trifluorobutan-1-ol
PubChem CID64567192
Molecular FormulaC12H15F3O2
Molecular Weight248.24 g/mol
Exact Mass248.10
IUPAC Name1-(4-ethoxyphenyl)-4,4,4-trifluorobutan-1-ol
SMILESCCOc1ccc(C(O)CCC(F)(F)F)cc1
InChIInChI=1S/C12H15F3O2/c1-2-17-10-5-3-9(4-6-10)11(16)7-8-12(13,14)15/h3-6,11,16H,2,7-8H2,1H3
InChIKeyPPYAKANQDGWGOH-UHFFFAOYSA-N
XLogP3.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-ethoxyphenyl)-4,4,4-trifluorobutyl]hydrazine
CID 105248935
1-(4-ethoxyphenyl)pent-4-en-1-ol
CID 115804789
1-[4-(difluoromethoxy)phenyl]-4,4,4-trifluorobutan-1-ol
CID 64568016
1-(4-ethoxyphenyl)-3-(methylamino)propan-1-ol
CID 112509819
1-(4-ethoxyphenyl)-4-methylsulfanylbutan-1-ol
CID 103089990
1-(4-ethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-ol
CID 61100045
1-(4-ethylsulfanylphenyl)-4,4,4-trifluorobutan-1-ol
CID 106848279
1-(aziridin-1-yl)-4-(4-ethoxyphenyl)-4-hydroxybutan-1-one
CID 112510367
1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-ol
CID 115515423
2-(tert-butylamino)-1-(4-ethoxyphenyl)ethanol
CID 62774522
(1R,6R)-1,6-bis(4-butoxyphenyl)hexane-1,6-diol
CID 7452438
1-(4-ethoxyphenyl)-2,2-difluoroethanol
CID 80604264

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-4,4,4-trifluorobutan-1-ol?
The IUPAC name of 1-(4-ethoxyphenyl)-4,4,4-trifluorobutan-1-ol (CID 64567192) is 1-(4-ethoxyphenyl)-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for 1-(4-ethoxyphenyl)-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for 1-(4-ethoxyphenyl)-4,4,4-trifluorobutan-1-ol is CCOc1ccc(C(O)CCC(F)(F)F)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-4,4,4-trifluorobutan-1-ol?
The InChIKey is PPYAKANQDGWGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O2/c1-2-17-10-5-3-9(4-6-10)11(16)7-8-12(13,14)15/h3-6,11,16H,2,7-8H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-4,4,4-trifluorobutan-1-ol?
1-(4-ethoxyphenyl)-4,4,4-trifluorobutan-1-ol has a molecular weight of 248.24 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 64567192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).