2,2-diethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-ol

C10H17F3O2 — CID 66366275

IUPAC2,2-diethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-ol
SMILESCCC1(CC)C(O)CC1OCC(F)(F)F
InChIInChI=1S/C10H17F3O2/c1-3-9(4-2)7(14)5-8(9)15-6-10(11,12)13/h7-8,14H,3-6H2,1-2H3
InChIKeyYCZACTMTCVRQBJ-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.50
Rot. Bonds4

About 2,2-diethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-ol

2,2-diethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-ol (PubChem CID 66366275) has the molecular formula C10H17F3O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2,2-diethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-diethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-ol
PubChem CID66366275
Molecular FormulaC10H17F3O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Name2,2-diethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-ol
SMILESCCC1(CC)C(O)CC1OCC(F)(F)F
InChIInChI=1S/C10H17F3O2/c1-3-9(4-2)7(14)5-8(9)15-6-10(11,12)13/h7-8,14H,3-6H2,1-2H3
InChIKeyYCZACTMTCVRQBJ-UHFFFAOYSA-N
XLogP2.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Diethyl-3-methoxycyclobutan-1-ol
CID 66366681
3-(1-Hydroxy-2,2,2-trifluoroethyl)-3-n-propyloxetane
CID 15021949
3,3-Di-(hydroxymethyl)-1,1,1-trifluorohexan-2-ol
CID 15021953
1,1-Difluoro-5,5-dimethylhexane-2,4-diol
CID 89226726
3,5-Dimethyl-5-(pentan-3-yloxymethyl)-6-(5,5,5-trifluoro-2,2,4,4-tetramethylpentoxy)hexan-3-ol
CID 123773546
1,1-Difluoro-1-(1-methylcyclobutyl)butan-2-ol
CID 134373254
3-(4,4-Difluorohexoxy)cyclobutan-1-ol
CID 134489223
1,1-Difluoro-1-(1-methylcyclobutyl)propan-2-ol;ethane
CID 142311871
1-(3,3-Difluoro-1-methylcyclobutyl)-1,1-difluoropropan-2-ol;ethane
CID 142312006
3,5-Dimethyl-5-(propan-2-yloxymethyl)-6-(2,2,2-trifluoroethoxy)hexan-3-ol
CID 144860125
2,4-Dimethyl-2-(2,2,2-trifluoroethoxymethyl)hexane-1,4-diol
CID 146489801
2-Ethyl-2-(2,2,2-trifluoroethoxymethyl)hexane-1,4-diol
CID 146489947

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-ol?
The IUPAC name of 2,2-diethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-ol (CID 66366275) is 2,2-diethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-ol.
What is the SMILES notation for 2,2-diethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-ol?
The canonical SMILES for 2,2-diethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-ol is CCC1(CC)C(O)CC1OCC(F)(F)F.
What is the InChIKey of 2,2-diethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-ol?
The InChIKey is YCZACTMTCVRQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O2/c1-3-9(4-2)7(14)5-8(9)15-6-10(11,12)13/h7-8,14H,3-6H2,1-2H3.
What are the key properties of 2,2-diethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-ol?
2,2-diethyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-ol has a molecular weight of 226.24 g/mol, XLogP of 2.50, 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-(2,2,2-trifluoroethoxy)cyclobutan-1-ol is sourced from PubChem (CID 66366275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).