3,3-difluoro-1-(methylaminomethyl)cyclobutan-1-ol

C6H11F2NO — CID 155894375

IUPAC3,3-difluoro-1-(methylaminomethyl)cyclobutan-1-ol
SMILESCNCC1(O)CC(F)(F)C1
InChIInChI=1S/C6H11F2NO/c1-9-4-5(10)2-6(7,8)3-5/h9-10H,2-4H2,1H3
InChIKeyWLHDWLHPNHGYKF-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.37
Rot. Bonds2

About 3,3-difluoro-1-(methylaminomethyl)cyclobutan-1-ol

3,3-difluoro-1-(methylaminomethyl)cyclobutan-1-ol (PubChem CID 155894375) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is 3,3-difluoro-1-(methylaminomethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name3,3-difluoro-1-(methylaminomethyl)cyclobutan-1-ol
PubChem CID155894375
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name3,3-difluoro-1-(methylaminomethyl)cyclobutan-1-ol
SMILESCNCC1(O)CC(F)(F)C1
InChIInChI=1S/C6H11F2NO/c1-9-4-5(10)2-6(7,8)3-5/h9-10H,2-4H2,1H3
InChIKeyWLHDWLHPNHGYKF-UHFFFAOYSA-N
XLogP0.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(methylaminomethyl)cyclobutan-1-ol?
The IUPAC name of 3,3-difluoro-1-(methylaminomethyl)cyclobutan-1-ol (CID 155894375) is 3,3-difluoro-1-(methylaminomethyl)cyclobutan-1-ol.
What is the SMILES notation for 3,3-difluoro-1-(methylaminomethyl)cyclobutan-1-ol?
The canonical SMILES for 3,3-difluoro-1-(methylaminomethyl)cyclobutan-1-ol is CNCC1(O)CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(methylaminomethyl)cyclobutan-1-ol?
The InChIKey is WLHDWLHPNHGYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c1-9-4-5(10)2-6(7,8)3-5/h9-10H,2-4H2,1H3.
What are the key properties of 3,3-difluoro-1-(methylaminomethyl)cyclobutan-1-ol?
3,3-difluoro-1-(methylaminomethyl)cyclobutan-1-ol has a molecular weight of 151.16 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(methylaminomethyl)cyclobutan-1-ol is sourced from PubChem (CID 155894375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).