2,2-dimethyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-ol

C14H17F3O2 — CID 81415968

IUPAC2,2-dimethyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-ol
SMILESCC1(C)C(O)CC1c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C14H17F3O2/c1-13(2)11(7-12(13)18)9-3-5-10(6-4-9)19-8-14(15,16)17/h3-6,11-12,18H,7-8H2,1-2H3
InChIKeyLNQITXBMSYQFCB-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.50
Rot. Bonds3

About 2,2-dimethyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-ol

2,2-dimethyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-ol (PubChem CID 81415968) has the molecular formula C14H17F3O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-ol
PubChem CID81415968
Molecular FormulaC14H17F3O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name2,2-dimethyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-ol
SMILESCC1(C)C(O)CC1c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C14H17F3O2/c1-13(2)11(7-12(13)18)9-3-5-10(6-4-9)19-8-14(15,16)17/h3-6,11-12,18H,7-8H2,1-2H3
InChIKeyLNQITXBMSYQFCB-UHFFFAOYSA-N
XLogP3.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-ol (CID 81415968) is 2,2-dimethyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-ol is CC1(C)C(O)CC1c1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 2,2-dimethyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-ol?
The InChIKey is LNQITXBMSYQFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O2/c1-13(2)11(7-12(13)18)9-3-5-10(6-4-9)19-8-14(15,16)17/h3-6,11-12,18H,7-8H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-ol?
2,2-dimethyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-ol has a molecular weight of 274.28 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[4-(2,2,2-trifluoroethoxy)phenyl]cyclobutan-1-ol is sourced from PubChem (CID 81415968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).