3-amino-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol

C7H12F3NO — CID 80561291

IUPAC3-amino-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol
SMILESNC1CC(O)(CCC(F)(F)F)C1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)2-1-6(12)3-5(11)4-6/h5,12H,1-4,11H2
InChIKeyJIWJADUBCJUFSS-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.18
Rot. Bonds2

About 3-amino-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol

3-amino-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol (PubChem CID 80561291) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 3-amino-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol
PubChem CID80561291
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name3-amino-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol
SMILESNC1CC(O)(CCC(F)(F)F)C1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)2-1-6(12)3-5(11)4-6/h5,12H,1-4,11H2
InChIKeyJIWJADUBCJUFSS-UHFFFAOYSA-N
XLogP1.18
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-1-(3,3,3-trifluoropropyl)cyclobutan-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 3-amino-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol?
The IUPAC name of 3-amino-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol (CID 80561291) is 3-amino-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol.
What is the SMILES notation for 3-amino-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol?
The canonical SMILES for 3-amino-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol is NC1CC(O)(CCC(F)(F)F)C1.
What is the InChIKey of 3-amino-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol?
The InChIKey is JIWJADUBCJUFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)2-1-6(12)3-5(11)4-6/h5,12H,1-4,11H2.
What are the key properties of 3-amino-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol?
3-amino-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol has a molecular weight of 183.17 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,3,3-trifluoropropyl)cyclobutan-1-ol is sourced from PubChem (CID 80561291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).