4-(2,2,3,3-tetrafluoro-4-propan-2-ylcyclobutyl)oxybutan-1-ol

C11H18F4O2 — CID 166846780

IUPAC4-(2,2,3,3-tetrafluoro-4-propan-2-ylcyclobutyl)oxybutan-1-ol
SMILESCC(C)C1C(OCCCCO)C(F)(F)C1(F)F
InChIInChI=1S/C11H18F4O2/c1-7(2)8-9(17-6-4-3-5-16)11(14,15)10(8,12)13/h7-9,16H,3-6H2,1-2H3
InChIKeyNMKNYMYZDUCNCE-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.70
Rot. Bonds6

About 4-(2,2,3,3-tetrafluoro-4-propan-2-ylcyclobutyl)oxybutan-1-ol

4-(2,2,3,3-tetrafluoro-4-propan-2-ylcyclobutyl)oxybutan-1-ol (PubChem CID 166846780) has the molecular formula C11H18F4O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 4-(2,2,3,3-tetrafluoro-4-propan-2-ylcyclobutyl)oxybutan-1-ol.

Molecular Properties

Compound Name4-(2,2,3,3-tetrafluoro-4-propan-2-ylcyclobutyl)oxybutan-1-ol
PubChem CID166846780
Molecular FormulaC11H18F4O2
Molecular Weight258.25 g/mol
Exact Mass258.12
IUPAC Name4-(2,2,3,3-tetrafluoro-4-propan-2-ylcyclobutyl)oxybutan-1-ol
SMILESCC(C)C1C(OCCCCO)C(F)(F)C1(F)F
InChIInChI=1S/C11H18F4O2/c1-7(2)8-9(17-6-4-3-5-16)11(14,15)10(8,12)13/h7-9,16H,3-6H2,1-2H3
InChIKeyNMKNYMYZDUCNCE-UHFFFAOYSA-N
XLogP2.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3,3-tetrafluoro-4-propan-2-ylcyclobutyl)oxybutan-1-ol?
The IUPAC name of 4-(2,2,3,3-tetrafluoro-4-propan-2-ylcyclobutyl)oxybutan-1-ol (CID 166846780) is 4-(2,2,3,3-tetrafluoro-4-propan-2-ylcyclobutyl)oxybutan-1-ol.
What is the SMILES notation for 4-(2,2,3,3-tetrafluoro-4-propan-2-ylcyclobutyl)oxybutan-1-ol?
The canonical SMILES for 4-(2,2,3,3-tetrafluoro-4-propan-2-ylcyclobutyl)oxybutan-1-ol is CC(C)C1C(OCCCCO)C(F)(F)C1(F)F.
What is the InChIKey of 4-(2,2,3,3-tetrafluoro-4-propan-2-ylcyclobutyl)oxybutan-1-ol?
The InChIKey is NMKNYMYZDUCNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F4O2/c1-7(2)8-9(17-6-4-3-5-16)11(14,15)10(8,12)13/h7-9,16H,3-6H2,1-2H3.
What are the key properties of 4-(2,2,3,3-tetrafluoro-4-propan-2-ylcyclobutyl)oxybutan-1-ol?
4-(2,2,3,3-tetrafluoro-4-propan-2-ylcyclobutyl)oxybutan-1-ol has a molecular weight of 258.25 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3-tetrafluoro-4-propan-2-ylcyclobutyl)oxybutan-1-ol is sourced from PubChem (CID 166846780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).