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

C5H9F2NO — CID 71756935

IUPAC3-amino-1-(difluoromethyl)cyclobutan-1-ol
SMILESNC1CC(O)(C(F)F)C1
InChIInChI=1S/C5H9F2NO/c6-4(7)5(9)1-3(8)2-5/h3-4,9H,1-2,8H2
InChIKeyZGQODFLUYKNYAB-UHFFFAOYSA-N
MW137.13 g/mol
LogP0.10
Rot. Bonds1

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

3-amino-1-(difluoromethyl)cyclobutan-1-ol (PubChem CID 71756935) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is 3-amino-1-(difluoromethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-amino-1-(difluoromethyl)cyclobutan-1-ol
PubChem CID71756935
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC Name3-amino-1-(difluoromethyl)cyclobutan-1-ol
SMILESNC1CC(O)(C(F)F)C1
InChIInChI=1S/C5H9F2NO/c6-4(7)5(9)1-3(8)2-5/h3-4,9H,1-2,8H2
InChIKeyZGQODFLUYKNYAB-UHFFFAOYSA-N
XLogP0.10
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(difluoromethyl)cyclobutan-1-ol?
The IUPAC name of 3-amino-1-(difluoromethyl)cyclobutan-1-ol (CID 71756935) is 3-amino-1-(difluoromethyl)cyclobutan-1-ol.
What is the SMILES notation for 3-amino-1-(difluoromethyl)cyclobutan-1-ol?
The canonical SMILES for 3-amino-1-(difluoromethyl)cyclobutan-1-ol is NC1CC(O)(C(F)F)C1.
What is the InChIKey of 3-amino-1-(difluoromethyl)cyclobutan-1-ol?
The InChIKey is ZGQODFLUYKNYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO/c6-4(7)5(9)1-3(8)2-5/h3-4,9H,1-2,8H2.
What are the key properties of 3-amino-1-(difluoromethyl)cyclobutan-1-ol?
3-amino-1-(difluoromethyl)cyclobutan-1-ol has a molecular weight of 137.13 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(difluoromethyl)cyclobutan-1-ol is sourced from PubChem (CID 71756935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).