trans-(1R,2R)-2-fluoro-N-(oxan-4-ylmethyl)cyclopentan-1-amine

C11H20FNO — CID 126847829

IUPACtrans-(1R,2R)-2-fluoro-N-(oxan-4-ylmethyl)cyclopentan-1-amine
SMILESF[C@@H]1CCC[C@H]1NCC1CCOCC1
InChIInChI=1S/C11H20FNO/c12-10-2-1-3-11(10)13-8-9-4-6-14-7-5-9/h9-11,13H,1-8H2/t10-,11-/m1/s1
InChIKeyCCCYQVWRRQHICP-GHMZBOCLSA-N
MW201.28 g/mol
LogP1.89
Rot. Bonds3

About trans-(1R,2R)-2-fluoro-N-(oxan-4-ylmethyl)cyclopentan-1-amine

trans-(1R,2R)-2-fluoro-N-(oxan-4-ylmethyl)cyclopentan-1-amine (PubChem CID 126847829) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is trans-(1R,2R)-2-fluoro-N-(oxan-4-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2-fluoro-N-(oxan-4-ylmethyl)cyclopentan-1-amine
PubChem CID126847829
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Nametrans-(1R,2R)-2-fluoro-N-(oxan-4-ylmethyl)cyclopentan-1-amine
SMILESF[C@@H]1CCC[C@H]1NCC1CCOCC1
InChIInChI=1S/C11H20FNO/c12-10-2-1-3-11(10)13-8-9-4-6-14-7-5-9/h9-11,13H,1-8H2/t10-,11-/m1/s1
InChIKeyCCCYQVWRRQHICP-GHMZBOCLSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-fluoro-N-(oxan-4-ylmethyl)cyclopentan-1-amine?
The IUPAC name of trans-(1R,2R)-2-fluoro-N-(oxan-4-ylmethyl)cyclopentan-1-amine (CID 126847829) is trans-(1R,2R)-2-fluoro-N-(oxan-4-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2-fluoro-N-(oxan-4-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for trans-(1R,2R)-2-fluoro-N-(oxan-4-ylmethyl)cyclopentan-1-amine is F[C@@H]1CCC[C@H]1NCC1CCOCC1.
What is the InChIKey of trans-(1R,2R)-2-fluoro-N-(oxan-4-ylmethyl)cyclopentan-1-amine?
The InChIKey is CCCYQVWRRQHICP-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H20FNO/c12-10-2-1-3-11(10)13-8-9-4-6-14-7-5-9/h9-11,13H,1-8H2/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-fluoro-N-(oxan-4-ylmethyl)cyclopentan-1-amine?
trans-(1R,2R)-2-fluoro-N-(oxan-4-ylmethyl)cyclopentan-1-amine has a molecular weight of 201.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-fluoro-N-(oxan-4-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 126847829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).