[(1S)-2,2-difluorocyclobutyl]methanamine

C5H9F2N — CID 97295114

IUPAC[(1S)-2,2-difluorocyclobutyl]methanamine
SMILESNC[C@@H]1CCC1(F)F
InChIInChI=1S/C5H9F2N/c6-5(7)2-1-4(5)3-8/h4H,1-3,8H2/t4-/m0/s1
InChIKeyMLCCHSZUZDDCAR-BYPYZUCNSA-N
MW121.13 g/mol
LogP0.99
Rot. Bonds1

About [(1S)-2,2-difluorocyclobutyl]methanamine

[(1S)-2,2-difluorocyclobutyl]methanamine (PubChem CID 97295114) has the molecular formula C5H9F2N and a molecular weight of 121.13 g/mol. Its IUPAC name is [(1S)-2,2-difluorocyclobutyl]methanamine.

Molecular Properties

Compound Name[(1S)-2,2-difluorocyclobutyl]methanamine
PubChem CID97295114
Molecular FormulaC5H9F2N
Molecular Weight121.13 g/mol
Exact Mass121.07
IUPAC Name[(1S)-2,2-difluorocyclobutyl]methanamine
SMILESNC[C@@H]1CCC1(F)F
InChIInChI=1S/C5H9F2N/c6-5(7)2-1-4(5)3-8/h4H,1-3,8H2/t4-/m0/s1
InChIKeyMLCCHSZUZDDCAR-BYPYZUCNSA-N
XLogP0.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.13
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S)-2,2-difluorocyclobutyl]methanamine?
The IUPAC name of [(1S)-2,2-difluorocyclobutyl]methanamine (CID 97295114) is [(1S)-2,2-difluorocyclobutyl]methanamine.
What is the SMILES notation for [(1S)-2,2-difluorocyclobutyl]methanamine?
The canonical SMILES for [(1S)-2,2-difluorocyclobutyl]methanamine is NC[C@@H]1CCC1(F)F.
What is the InChIKey of [(1S)-2,2-difluorocyclobutyl]methanamine?
The InChIKey is MLCCHSZUZDDCAR-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H9F2N/c6-5(7)2-1-4(5)3-8/h4H,1-3,8H2/t4-/m0/s1.
What are the key properties of [(1S)-2,2-difluorocyclobutyl]methanamine?
[(1S)-2,2-difluorocyclobutyl]methanamine has a molecular weight of 121.13 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2,2-difluorocyclobutyl]methanamine is sourced from PubChem (CID 97295114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).