4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-ol

C10H15F3O2 — CID 64567577

IUPAC4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-ol
SMILESOC(CCC(F)(F)F)C1CC2CCC1O2
InChIInChI=1S/C10H15F3O2/c11-10(12,13)4-3-8(14)7-5-6-1-2-9(7)15-6/h6-9,14H,1-5H2
InChIKeyCTTGDMSCHZMVRA-UHFFFAOYSA-N
MW224.22 g/mol
LogP2.26
Rot. Bonds3

About 4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-ol

4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-ol (PubChem CID 64567577) has the molecular formula C10H15F3O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-ol
PubChem CID64567577
Molecular FormulaC10H15F3O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Name4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-ol
SMILESOC(CCC(F)(F)F)C1CC2CCC1O2
InChIInChI=1S/C10H15F3O2/c11-10(12,13)4-3-8(14)7-5-6-1-2-9(7)15-6/h6-9,14H,1-5H2
InChIKeyCTTGDMSCHZMVRA-UHFFFAOYSA-N
XLogP2.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-ol?
The IUPAC name of 4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-ol (CID 64567577) is 4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-ol is OC(CCC(F)(F)F)C1CC2CCC1O2.
What is the InChIKey of 4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-ol?
The InChIKey is CTTGDMSCHZMVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O2/c11-10(12,13)4-3-8(14)7-5-6-1-2-9(7)15-6/h6-9,14H,1-5H2.
What are the key properties of 4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-ol?
4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-ol has a molecular weight of 224.22 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-ol is sourced from PubChem (CID 64567577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).