1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]butan-2-ol

C9H17F2NO2 — CID 163393211

IUPAC1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]butan-2-ol
SMILESCCC(O)CNC1(CO)CC(F)(F)C1
InChIInChI=1S/C9H17F2NO2/c1-2-7(14)3-12-8(6-13)4-9(10,11)5-8/h7,12-14H,2-6H2,1H3
InChIKeyFUUGVTRMQOOBQX-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.51
Rot. Bonds5

About 1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]butan-2-ol

1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]butan-2-ol (PubChem CID 163393211) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is 1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]butan-2-ol.

Molecular Properties

Compound Name1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]butan-2-ol
PubChem CID163393211
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Name1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]butan-2-ol
SMILESCCC(O)CNC1(CO)CC(F)(F)C1
InChIInChI=1S/C9H17F2NO2/c1-2-7(14)3-12-8(6-13)4-9(10,11)5-8/h7,12-14H,2-6H2,1H3
InChIKeyFUUGVTRMQOOBQX-UHFFFAOYSA-N
XLogP0.51
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]butan-2-ol?
The IUPAC name of 1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]butan-2-ol (CID 163393211) is 1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]butan-2-ol.
What is the SMILES notation for 1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]butan-2-ol?
The canonical SMILES for 1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]butan-2-ol is CCC(O)CNC1(CO)CC(F)(F)C1.
What is the InChIKey of 1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]butan-2-ol?
The InChIKey is FUUGVTRMQOOBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-2-7(14)3-12-8(6-13)4-9(10,11)5-8/h7,12-14H,2-6H2,1H3.
What are the key properties of 1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]butan-2-ol?
1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]butan-2-ol has a molecular weight of 209.24 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]butan-2-ol is sourced from PubChem (CID 163393211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).