trans-(1S,2S)-2-(difluoromethoxy)cyclobutan-1-amine

C5H9F2NO — CID 171055967

IUPACtrans-(1S,2S)-2-(difluoromethoxy)cyclobutan-1-amine
SMILESN[C@H]1CC[C@@H]1OC(F)F
InChIInChI=1S/C5H9F2NO/c6-5(7)9-4-2-1-3(4)8/h3-5H,1-2,8H2/t3-,4-/m0/s1
InChIKeyNRPIVQVYAPOIAX-IMJSIDKUSA-N
MW137.13 g/mol
LogP0.72
Rot. Bonds2

About trans-(1S,2S)-2-(difluoromethoxy)cyclobutan-1-amine

trans-(1S,2S)-2-(difluoromethoxy)cyclobutan-1-amine (PubChem CID 171055967) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is trans-(1S,2S)-2-(difluoromethoxy)cyclobutan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(difluoromethoxy)cyclobutan-1-amine
PubChem CID171055967
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC Nametrans-(1S,2S)-2-(difluoromethoxy)cyclobutan-1-amine
SMILESN[C@H]1CC[C@@H]1OC(F)F
InChIInChI=1S/C5H9F2NO/c6-5(7)9-4-2-1-3(4)8/h3-5H,1-2,8H2/t3-,4-/m0/s1
InChIKeyNRPIVQVYAPOIAX-IMJSIDKUSA-N
XLogP0.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(difluoromethoxy)cyclobutan-1-amine?
The IUPAC name of trans-(1S,2S)-2-(difluoromethoxy)cyclobutan-1-amine (CID 171055967) is trans-(1S,2S)-2-(difluoromethoxy)cyclobutan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-(difluoromethoxy)cyclobutan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-(difluoromethoxy)cyclobutan-1-amine is N[C@H]1CC[C@@H]1OC(F)F.
What is the InChIKey of trans-(1S,2S)-2-(difluoromethoxy)cyclobutan-1-amine?
The InChIKey is NRPIVQVYAPOIAX-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H9F2NO/c6-5(7)9-4-2-1-3(4)8/h3-5H,1-2,8H2/t3-,4-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(difluoromethoxy)cyclobutan-1-amine?
trans-(1S,2S)-2-(difluoromethoxy)cyclobutan-1-amine has a molecular weight of 137.13 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(difluoromethoxy)cyclobutan-1-amine is sourced from PubChem (CID 171055967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).