2,2-diethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol

C15H19F3O2 — CID 81415026

IUPAC2,2-diethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol
SMILESCCC1(CC)C(O)CC1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H19F3O2/c1-3-14(4-2)12(9-13(14)19)10-6-5-7-11(8-10)20-15(16,17)18/h5-8,12-13,19H,3-4,9H2,1-2H3
InChIKeyIHBPXQDAGKQIAQ-UHFFFAOYSA-N
MW288.31 g/mol
LogP4.24
Rot. Bonds4

About 2,2-diethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol

2,2-diethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol (PubChem CID 81415026) has the molecular formula C15H19F3O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2,2-diethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-diethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol
PubChem CID81415026
Molecular FormulaC15H19F3O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name2,2-diethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol
SMILESCCC1(CC)C(O)CC1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H19F3O2/c1-3-14(4-2)12(9-13(14)19)10-6-5-7-11(8-10)20-15(16,17)18/h5-8,12-13,19H,3-4,9H2,1-2H3
InChIKeyIHBPXQDAGKQIAQ-UHFFFAOYSA-N
XLogP4.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 81416661
2,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine
CID 81415060
N,2,2-trimethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-amine
CID 81417291
trans-(1R,2S)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 91657247
(1S,2S,4S)-2-pyrrolidin-1-yl-4-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 153367461
3-(3-ethoxyphenyl)-2,2-dimethylcyclobutan-1-ol
CID 81415009
N-ethyl-3-[3-(trifluoromethoxy)phenyl]cyclopentan-1-amine
CID 64503099
bis[3-(trifluoromethoxy)phenyl]iodanium
CID 175669102
2-[3-(trifluoromethoxy)phenyl]adamantane
CID 91149986
N-[[2-[3-(trifluoromethoxy)phenyl]cyclopropyl]methyl]propan-1-amine
CID 107105216
2,2-diethyl-3-(4-methylphenyl)cyclobutan-1-ol
CID 81415265
3-[3-(trifluoromethoxy)phenyl]pentan-3-ol
CID 62917897

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol?
The IUPAC name of 2,2-diethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol (CID 81415026) is 2,2-diethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol.
What is the SMILES notation for 2,2-diethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol?
The canonical SMILES for 2,2-diethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol is CCC1(CC)C(O)CC1c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2,2-diethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol?
The InChIKey is IHBPXQDAGKQIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3O2/c1-3-14(4-2)12(9-13(14)19)10-6-5-7-11(8-10)20-15(16,17)18/h5-8,12-13,19H,3-4,9H2,1-2H3.
What are the key properties of 2,2-diethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol?
2,2-diethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol has a molecular weight of 288.31 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol is sourced from PubChem (CID 81415026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).