1-(4-ethylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-ol

C14H19F3O2 — CID 55096279

IUPAC1-(4-ethylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-ol
SMILESCCc1ccc(C(O)CCCOCC(F)(F)F)cc1
InChIInChI=1S/C14H19F3O2/c1-2-11-5-7-12(8-6-11)13(18)4-3-9-19-10-14(15,16)17/h5-8,13,18H,2-4,9-10H2,1H3
InChIKeyILUYOSRAYFOHNN-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.64
Rot. Bonds7

About 1-(4-ethylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-ol

1-(4-ethylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-ol (PubChem CID 55096279) has the molecular formula C14H19F3O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-ol.

Molecular Properties

Compound Name1-(4-ethylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-ol
PubChem CID55096279
Molecular FormulaC14H19F3O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name1-(4-ethylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-ol
SMILESCCc1ccc(C(O)CCCOCC(F)(F)F)cc1
InChIInChI=1S/C14H19F3O2/c1-2-11-5-7-12(8-6-11)13(18)4-3-9-19-10-14(15,16)17/h5-8,13,18H,2-4,9-10H2,1H3
InChIKeyILUYOSRAYFOHNN-UHFFFAOYSA-N
XLogP3.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.64
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

1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-ol
CID 115515423
3-butoxy-1-(4-ethylphenyl)propan-1-ol
CID 115001888
1-[1-chloro-2-(2,2,2-trifluoroethoxy)ethyl]-4-ethylbenzene
CID 103210637
(1R)-1-(4-ethylphenyl)butan-1-ol
CID 39237012
1-(4-ethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 103216652
4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 54962007
4-methoxy-1-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 65091791
3-amino-1-(4-ethylphenyl)propan-1-ol
CID 55269424
1-[bis[(4-methoxyphenyl)methyl]amino]-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 166517138
1-phenyl-3-(4,4,4-trifluorobutoxy)propan-1-ol
CID 116693441
1-pyridin-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-ol
CID 115002956
1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-2-ol
CID 115495880

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-ol?
The IUPAC name of 1-(4-ethylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-ol (CID 55096279) is 1-(4-ethylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-ol.
What is the SMILES notation for 1-(4-ethylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-ol?
The canonical SMILES for 1-(4-ethylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-ol is CCc1ccc(C(O)CCCOCC(F)(F)F)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-ol?
The InChIKey is ILUYOSRAYFOHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O2/c1-2-11-5-7-12(8-6-11)13(18)4-3-9-19-10-14(15,16)17/h5-8,13,18H,2-4,9-10H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-ol?
1-(4-ethylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-ol has a molecular weight of 276.30 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-ol is sourced from PubChem (CID 55096279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).