trans-(1S,3S)-3-(3-fluorophenoxy)cyclopentan-1-amine

C11H14FNO — CID 141309479

IUPACtrans-(1S,3S)-3-(3-fluorophenoxy)cyclopentan-1-amine
SMILESN[C@H]1CC[C@H](Oc2cccc(F)c2)C1
InChIInChI=1S/C11H14FNO/c12-8-2-1-3-10(6-8)14-11-5-4-9(13)7-11/h1-3,6,9,11H,4-5,7,13H2/t9-,11-/m0/s1
InChIKeyNMDHQYYYXYKMLK-ONGXEEELSA-N
MW195.24 g/mol
LogP2.08
Rot. Bonds2

About trans-(1S,3S)-3-(3-fluorophenoxy)cyclopentan-1-amine

trans-(1S,3S)-3-(3-fluorophenoxy)cyclopentan-1-amine (PubChem CID 141309479) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is trans-(1S,3S)-3-(3-fluorophenoxy)cyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-(3-fluorophenoxy)cyclopentan-1-amine
PubChem CID141309479
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Nametrans-(1S,3S)-3-(3-fluorophenoxy)cyclopentan-1-amine
SMILESN[C@H]1CC[C@H](Oc2cccc(F)c2)C1
InChIInChI=1S/C11H14FNO/c12-8-2-1-3-10(6-8)14-11-5-4-9(13)7-11/h1-3,6,9,11H,4-5,7,13H2/t9-,11-/m0/s1
InChIKeyNMDHQYYYXYKMLK-ONGXEEELSA-N
XLogP2.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-(3-fluorophenoxy)cyclopentan-1-amine?
The IUPAC name of trans-(1S,3S)-3-(3-fluorophenoxy)cyclopentan-1-amine (CID 141309479) is trans-(1S,3S)-3-(3-fluorophenoxy)cyclopentan-1-amine.
What is the SMILES notation for trans-(1S,3S)-3-(3-fluorophenoxy)cyclopentan-1-amine?
The canonical SMILES for trans-(1S,3S)-3-(3-fluorophenoxy)cyclopentan-1-amine is N[C@H]1CC[C@H](Oc2cccc(F)c2)C1.
What is the InChIKey of trans-(1S,3S)-3-(3-fluorophenoxy)cyclopentan-1-amine?
The InChIKey is NMDHQYYYXYKMLK-ONGXEEELSA-N. The full InChI is InChI=1S/C11H14FNO/c12-8-2-1-3-10(6-8)14-11-5-4-9(13)7-11/h1-3,6,9,11H,4-5,7,13H2/t9-,11-/m0/s1.
What are the key properties of trans-(1S,3S)-3-(3-fluorophenoxy)cyclopentan-1-amine?
trans-(1S,3S)-3-(3-fluorophenoxy)cyclopentan-1-amine has a molecular weight of 195.24 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-(3-fluorophenoxy)cyclopentan-1-amine is sourced from PubChem (CID 141309479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).