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

C10H19F2NO2 — CID 167099875

IUPAC1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]pentan-2-ol
SMILESCCCC(O)CNC1(CO)CC(F)(F)C1
InChIInChI=1S/C10H19F2NO2/c1-2-3-8(15)4-13-9(7-14)5-10(11,12)6-9/h8,13-15H,2-7H2,1H3
InChIKeyWVHFUADUIZDOIT-UHFFFAOYSA-N
MW223.26 g/mol
LogP0.90
Rot. Bonds6

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

1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]pentan-2-ol (PubChem CID 167099875) has the molecular formula C10H19F2NO2 and a molecular weight of 223.26 g/mol. Its IUPAC name is 1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]pentan-2-ol.

Molecular Properties

Compound Name1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]pentan-2-ol
PubChem CID167099875
Molecular FormulaC10H19F2NO2
Molecular Weight223.26 g/mol
Exact Mass223.14
IUPAC Name1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]pentan-2-ol
SMILESCCCC(O)CNC1(CO)CC(F)(F)C1
InChIInChI=1S/C10H19F2NO2/c1-2-3-8(15)4-13-9(7-14)5-10(11,12)6-9/h8,13-15H,2-7H2,1H3
InChIKeyWVHFUADUIZDOIT-UHFFFAOYSA-N
XLogP0.90
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 50.90
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]pentan-2-ol?
The IUPAC name of 1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]pentan-2-ol (CID 167099875) is 1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]pentan-2-ol.
What is the SMILES notation for 1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]pentan-2-ol?
The canonical SMILES for 1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]pentan-2-ol is CCCC(O)CNC1(CO)CC(F)(F)C1.
What is the InChIKey of 1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]pentan-2-ol?
The InChIKey is WVHFUADUIZDOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO2/c1-2-3-8(15)4-13-9(7-14)5-10(11,12)6-9/h8,13-15H,2-7H2,1H3.
What are the key properties of 1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]pentan-2-ol?
1-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]pentan-2-ol has a molecular weight of 223.26 g/mol, XLogP of 0.90, 6 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]pentan-2-ol is sourced from PubChem (CID 167099875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).