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

C15H20F4O2 — CID 107288640

IUPAC2-ethoxy-2-ethyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol
SMILESCCOC(CC)(CC)C(O)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C15H20F4O2/c1-4-14(5-2,21-6-3)13(20)10-7-8-11(12(16)9-10)15(17,18)19/h7-9,13,20H,4-6H2,1-3H3
InChIKeyFTCCMXGBBZKRMB-UHFFFAOYSA-N
MW308.32 g/mol
LogP4.47
Rot. Bonds6

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

2-ethoxy-2-ethyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol (PubChem CID 107288640) has the molecular formula C15H20F4O2 and a molecular weight of 308.32 g/mol. Its IUPAC name is 2-ethoxy-2-ethyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol.

Molecular Properties

Compound Name2-ethoxy-2-ethyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol
PubChem CID107288640
Molecular FormulaC15H20F4O2
Molecular Weight308.32 g/mol
Exact Mass308.14
IUPAC Name2-ethoxy-2-ethyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol
SMILESCCOC(CC)(CC)C(O)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C15H20F4O2/c1-4-14(5-2,21-6-3)13(20)10-7-8-11(12(16)9-10)15(17,18)19/h7-9,13,20H,4-6H2,1-3H3
InChIKeyFTCCMXGBBZKRMB-UHFFFAOYSA-N
XLogP4.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-ol
CID 107288624
1-[3-fluoro-4-(trifluoromethyl)phenyl]pentan-1-ol
CID 107287355
4-butan-2-yl-2-fluoro-1-(trifluoromethyl)benzene
CID 90930797
1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-propoxypropan-1-ol
CID 107292089
2-ethoxy-1-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol
CID 107128616
2,2-diethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylethanamine
CID 107289129
1-(3,5-dimethylphenyl)-2-ethoxy-2-ethylbutan-1-ol
CID 116752542
(3-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287290
1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
CID 170818370
2-ethyl-1-(3-fluoro-4-methoxyphenyl)-2-methoxybutan-1-ol
CID 116752804
2-ethoxy-2-ethyl-1-(4-propan-2-yloxyphenyl)butan-1-ol
CID 116752665
3-bromo-1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2-diol
CID 171860512

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-ethyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol?
The IUPAC name of 2-ethoxy-2-ethyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol (CID 107288640) is 2-ethoxy-2-ethyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol.
What is the SMILES notation for 2-ethoxy-2-ethyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol?
The canonical SMILES for 2-ethoxy-2-ethyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol is CCOC(CC)(CC)C(O)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 2-ethoxy-2-ethyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol?
The InChIKey is FTCCMXGBBZKRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4O2/c1-4-14(5-2,21-6-3)13(20)10-7-8-11(12(16)9-10)15(17,18)19/h7-9,13,20H,4-6H2,1-3H3.
What are the key properties of 2-ethoxy-2-ethyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol?
2-ethoxy-2-ethyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol has a molecular weight of 308.32 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-ethyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-ol is sourced from PubChem (CID 107288640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).