2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-ol

C14H18F4O2 — CID 107288624

IUPAC2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-ol
SMILESCCOC(C(C)C)C(O)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C14H18F4O2/c1-4-20-13(8(2)3)12(19)9-5-6-10(11(15)7-9)14(16,17)18/h5-8,12-13,19H,4H2,1-3H3
InChIKeyMTPLTNZGAHVWQP-UHFFFAOYSA-N
MW294.29 g/mol
LogP3.94
Rot. Bonds5

About 2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-ol

2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-ol (PubChem CID 107288624) has the molecular formula C14H18F4O2 and a molecular weight of 294.29 g/mol. Its IUPAC name is 2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-ol
PubChem CID107288624
Molecular FormulaC14H18F4O2
Molecular Weight294.29 g/mol
Exact Mass294.12
IUPAC Name2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-ol
SMILESCCOC(C(C)C)C(O)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C14H18F4O2/c1-4-20-13(8(2)3)12(19)9-5-6-10(11(15)7-9)14(16,17)18/h5-8,12-13,19H,4H2,1-3H3
InChIKeyMTPLTNZGAHVWQP-UHFFFAOYSA-N
XLogP3.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-2-ethyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol
CID 107288640
1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
CID 170818370
1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-phenylpropan-1-ol
CID 107287362
4-butan-2-yl-2-fluoro-1-(trifluoromethyl)benzene
CID 90930797
3-bromo-1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2-diol
CID 171860512
1-[3-fluoro-4-(trifluoromethyl)phenyl]pentan-1-ol
CID 107287355
2,2-diethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylethanamine
CID 107289129
2-fluoro-4-[(1S)-1-isocyanatoethyl]-1-(trifluoromethyl)benzene
CID 154659564
[1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-3-methylbutyl]hydrazine
CID 107292433
2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanol
CID 107288626
1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-propoxypropan-1-ol
CID 107292089
(3-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287290

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-ol?
The IUPAC name of 2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-ol (CID 107288624) is 2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-ol?
The canonical SMILES for 2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-ol is CCOC(C(C)C)C(O)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-ol?
The InChIKey is MTPLTNZGAHVWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4O2/c1-4-20-13(8(2)3)12(19)9-5-6-10(11(15)7-9)14(16,17)18/h5-8,12-13,19H,4H2,1-3H3.
What are the key properties of 2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-ol?
2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-ol has a molecular weight of 294.29 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-ol is sourced from PubChem (CID 107288624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).