1-(4-ethylphenyl)-2-(4,4,4-trifluorobutoxy)propan-1-ol

C15H21F3O2 — CID 82789164

IUPAC1-(4-ethylphenyl)-2-(4,4,4-trifluorobutoxy)propan-1-ol
SMILESCCc1ccc(C(O)C(C)OCCCC(F)(F)F)cc1
InChIInChI=1S/C15H21F3O2/c1-3-12-5-7-13(8-6-12)14(19)11(2)20-10-4-9-15(16,17)18/h5-8,11,14,19H,3-4,9-10H2,1-2H3
InChIKeyXZZDGWYHVBVLTC-UHFFFAOYSA-N
MW290.33 g/mol
LogP4.03
Rot. Bonds7

About 1-(4-ethylphenyl)-2-(4,4,4-trifluorobutoxy)propan-1-ol

1-(4-ethylphenyl)-2-(4,4,4-trifluorobutoxy)propan-1-ol (PubChem CID 82789164) has the molecular formula C15H21F3O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(4,4,4-trifluorobutoxy)propan-1-ol.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(4,4,4-trifluorobutoxy)propan-1-ol
PubChem CID82789164
Molecular FormulaC15H21F3O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name1-(4-ethylphenyl)-2-(4,4,4-trifluorobutoxy)propan-1-ol
SMILESCCc1ccc(C(O)C(C)OCCCC(F)(F)F)cc1
InChIInChI=1S/C15H21F3O2/c1-3-12-5-7-13(8-6-12)14(19)11(2)20-10-4-9-15(16,17)18/h5-8,11,14,19H,3-4,9-10H2,1-2H3
InChIKeyXZZDGWYHVBVLTC-UHFFFAOYSA-N
XLogP4.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-cyclopropylethoxy)-1-(4-ethylphenyl)propan-1-ol
CID 106203961
1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-ol
CID 115515423
1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-amine
CID 113326937
(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
CID 131850770
1-(4-fluorophenyl)-2-(4,4,4-trifluorobutoxy)propan-1-amine
CID 107523928
1-(4-ethylphenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82788200
2-(2-ethylhexoxy)-1-(4-ethylphenyl)propan-1-ol
CID 63467008
1-(4-ethylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-one
CID 82955506
1-ethyl-4-[4-(4,4,4-trifluorobutoxy)phenyl]benzene
CID 18335308
2-(3,3-dimethylbutoxy)-1-(4-methylphenyl)propan-1-ol
CID 66224938
1-(4-ethylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-ol
CID 55096279
1-(4-ethylphenyl)-2-pentoxypropan-1-amine
CID 43310113

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(4,4,4-trifluorobutoxy)propan-1-ol?
The IUPAC name of 1-(4-ethylphenyl)-2-(4,4,4-trifluorobutoxy)propan-1-ol (CID 82789164) is 1-(4-ethylphenyl)-2-(4,4,4-trifluorobutoxy)propan-1-ol.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(4,4,4-trifluorobutoxy)propan-1-ol?
The canonical SMILES for 1-(4-ethylphenyl)-2-(4,4,4-trifluorobutoxy)propan-1-ol is CCc1ccc(C(O)C(C)OCCCC(F)(F)F)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(4,4,4-trifluorobutoxy)propan-1-ol?
The InChIKey is XZZDGWYHVBVLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3O2/c1-3-12-5-7-13(8-6-12)14(19)11(2)20-10-4-9-15(16,17)18/h5-8,11,14,19H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-2-(4,4,4-trifluorobutoxy)propan-1-ol?
1-(4-ethylphenyl)-2-(4,4,4-trifluorobutoxy)propan-1-ol has a molecular weight of 290.33 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(4,4,4-trifluorobutoxy)propan-1-ol is sourced from PubChem (CID 82789164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).