3-amino-1-(trifluoromethyl)cyclobutan-1-ol

C5H8F3NO — CID 50989716

IUPAC3-amino-1-(trifluoromethyl)cyclobutan-1-ol
SMILESNC1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C5H8F3NO/c6-5(7,8)4(10)1-3(9)2-4/h3,10H,1-2,9H2
InChIKeyAEVIMGJBSUCKLH-UHFFFAOYSA-N
MW155.12 g/mol
LogP0.40
Rot. Bonds

About 3-amino-1-(trifluoromethyl)cyclobutan-1-ol

3-amino-1-(trifluoromethyl)cyclobutan-1-ol (PubChem CID 50989716) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is 3-amino-1-(trifluoromethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-1-(trifluoromethyl)cyclobutan-1-ol
PubChem CID50989716
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC Name3-amino-1-(trifluoromethyl)cyclobutan-1-ol
SMILESNC1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C5H8F3NO/c6-5(7,8)4(10)1-3(9)2-4/h3,10H,1-2,9H2
InChIKeyAEVIMGJBSUCKLH-UHFFFAOYSA-N
XLogP0.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(trifluoromethyl)cyclobutan-1-ol?
The IUPAC name of 3-amino-1-(trifluoromethyl)cyclobutan-1-ol (CID 50989716) is 3-amino-1-(trifluoromethyl)cyclobutan-1-ol.
What is the SMILES notation for 3-amino-1-(trifluoromethyl)cyclobutan-1-ol?
The canonical SMILES for 3-amino-1-(trifluoromethyl)cyclobutan-1-ol is NC1CC(O)(C(F)(F)F)C1.
What is the InChIKey of 3-amino-1-(trifluoromethyl)cyclobutan-1-ol?
The InChIKey is AEVIMGJBSUCKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO/c6-5(7,8)4(10)1-3(9)2-4/h3,10H,1-2,9H2.
What are the key properties of 3-amino-1-(trifluoromethyl)cyclobutan-1-ol?
3-amino-1-(trifluoromethyl)cyclobutan-1-ol has a molecular weight of 155.12 g/mol, XLogP of 0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(trifluoromethyl)cyclobutan-1-ol is sourced from PubChem (CID 50989716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).