trans-(1R,3R)-3-(2,2-difluoroethoxy)cyclopentan-1-amine

C7H13F2NO — CID 139529938

IUPACtrans-(1R,3R)-3-(2,2-difluoroethoxy)cyclopentan-1-amine
SMILESN[C@@H]1CC[C@@H](OCC(F)F)C1
InChIInChI=1S/C7H13F2NO/c8-7(9)4-11-6-2-1-5(10)3-6/h5-7H,1-4,10H2/t5-,6-/m1/s1
InChIKeyPKLQVLJVBURTKP-PHDIDXHHSA-N
MW165.18 g/mol
LogP1.15
Rot. Bonds3

About trans-(1R,3R)-3-(2,2-difluoroethoxy)cyclopentan-1-amine

trans-(1R,3R)-3-(2,2-difluoroethoxy)cyclopentan-1-amine (PubChem CID 139529938) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is trans-(1R,3R)-3-(2,2-difluoroethoxy)cyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1R,3R)-3-(2,2-difluoroethoxy)cyclopentan-1-amine
PubChem CID139529938
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Nametrans-(1R,3R)-3-(2,2-difluoroethoxy)cyclopentan-1-amine
SMILESN[C@@H]1CC[C@@H](OCC(F)F)C1
InChIInChI=1S/C7H13F2NO/c8-7(9)4-11-6-2-1-5(10)3-6/h5-7H,1-4,10H2/t5-,6-/m1/s1
InChIKeyPKLQVLJVBURTKP-PHDIDXHHSA-N
XLogP1.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-(2,2-difluoroethoxy)cyclopentan-1-amine?
The IUPAC name of trans-(1R,3R)-3-(2,2-difluoroethoxy)cyclopentan-1-amine (CID 139529938) is trans-(1R,3R)-3-(2,2-difluoroethoxy)cyclopentan-1-amine.
What is the SMILES notation for trans-(1R,3R)-3-(2,2-difluoroethoxy)cyclopentan-1-amine?
The canonical SMILES for trans-(1R,3R)-3-(2,2-difluoroethoxy)cyclopentan-1-amine is N[C@@H]1CC[C@@H](OCC(F)F)C1.
What is the InChIKey of trans-(1R,3R)-3-(2,2-difluoroethoxy)cyclopentan-1-amine?
The InChIKey is PKLQVLJVBURTKP-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H13F2NO/c8-7(9)4-11-6-2-1-5(10)3-6/h5-7H,1-4,10H2/t5-,6-/m1/s1.
What are the key properties of trans-(1R,3R)-3-(2,2-difluoroethoxy)cyclopentan-1-amine?
trans-(1R,3R)-3-(2,2-difluoroethoxy)cyclopentan-1-amine has a molecular weight of 165.18 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-(2,2-difluoroethoxy)cyclopentan-1-amine is sourced from PubChem (CID 139529938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).