trans-(1S,3S)-3-(3,4,5-trifluorophenoxy)cyclopentan-1-amine

C11H12F3NO — CID 146194863

IUPACtrans-(1S,3S)-3-(3,4,5-trifluorophenoxy)cyclopentan-1-amine
SMILESN[C@H]1CC[C@H](Oc2cc(F)c(F)c(F)c2)C1
InChIInChI=1S/C11H12F3NO/c12-9-4-8(5-10(13)11(9)14)16-7-2-1-6(15)3-7/h4-7H,1-3,15H2/t6-,7-/m0/s1
InChIKeyIYGRFCUIDWQHQT-BQBZGAKWSA-N
MW231.22 g/mol
LogP2.36
Rot. Bonds2

About trans-(1S,3S)-3-(3,4,5-trifluorophenoxy)cyclopentan-1-amine

trans-(1S,3S)-3-(3,4,5-trifluorophenoxy)cyclopentan-1-amine (PubChem CID 146194863) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is trans-(1S,3S)-3-(3,4,5-trifluorophenoxy)cyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-(3,4,5-trifluorophenoxy)cyclopentan-1-amine
PubChem CID146194863
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Nametrans-(1S,3S)-3-(3,4,5-trifluorophenoxy)cyclopentan-1-amine
SMILESN[C@H]1CC[C@H](Oc2cc(F)c(F)c(F)c2)C1
InChIInChI=1S/C11H12F3NO/c12-9-4-8(5-10(13)11(9)14)16-7-2-1-6(15)3-7/h4-7H,1-3,15H2/t6-,7-/m0/s1
InChIKeyIYGRFCUIDWQHQT-BQBZGAKWSA-N
XLogP2.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-(3,4,5-trifluorophenoxy)cyclopentan-1-amine?
The IUPAC name of trans-(1S,3S)-3-(3,4,5-trifluorophenoxy)cyclopentan-1-amine (CID 146194863) is trans-(1S,3S)-3-(3,4,5-trifluorophenoxy)cyclopentan-1-amine.
What is the SMILES notation for trans-(1S,3S)-3-(3,4,5-trifluorophenoxy)cyclopentan-1-amine?
The canonical SMILES for trans-(1S,3S)-3-(3,4,5-trifluorophenoxy)cyclopentan-1-amine is N[C@H]1CC[C@H](Oc2cc(F)c(F)c(F)c2)C1.
What is the InChIKey of trans-(1S,3S)-3-(3,4,5-trifluorophenoxy)cyclopentan-1-amine?
The InChIKey is IYGRFCUIDWQHQT-BQBZGAKWSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-9-4-8(5-10(13)11(9)14)16-7-2-1-6(15)3-7/h4-7H,1-3,15H2/t6-,7-/m0/s1.
What are the key properties of trans-(1S,3S)-3-(3,4,5-trifluorophenoxy)cyclopentan-1-amine?
trans-(1S,3S)-3-(3,4,5-trifluorophenoxy)cyclopentan-1-amine has a molecular weight of 231.22 g/mol, XLogP of 2.36, 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-(3,4,5-trifluorophenoxy)cyclopentan-1-amine is sourced from PubChem (CID 146194863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).