1-amino-2-[2-[2-(trifluoromethyl)phenoxy]ethyl]cyclopentane-1-carbonitrile

C15H17F3N2O — CID 79576663

IUPAC1-amino-2-[2-[2-(trifluoromethyl)phenoxy]ethyl]cyclopentane-1-carbonitrile
SMILESN#CC1(N)CCCC1CCOc1ccccc1C(F)(F)F
InChIInChI=1S/C15H17F3N2O/c16-15(17,18)12-5-1-2-6-13(12)21-9-7-11-4-3-8-14(11,20)10-19/h1-2,5-6,11H,3-4,7-9,20H2
InChIKeyWRUMFSSGSQLUJE-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.50
Rot. Bonds4

About 1-amino-2-[2-[2-(trifluoromethyl)phenoxy]ethyl]cyclopentane-1-carbonitrile

1-amino-2-[2-[2-(trifluoromethyl)phenoxy]ethyl]cyclopentane-1-carbonitrile (PubChem CID 79576663) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is 1-amino-2-[2-[2-(trifluoromethyl)phenoxy]ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-2-[2-[2-(trifluoromethyl)phenoxy]ethyl]cyclopentane-1-carbonitrile
PubChem CID79576663
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name1-amino-2-[2-[2-(trifluoromethyl)phenoxy]ethyl]cyclopentane-1-carbonitrile
SMILESN#CC1(N)CCCC1CCOc1ccccc1C(F)(F)F
InChIInChI=1S/C15H17F3N2O/c16-15(17,18)12-5-1-2-6-13(12)21-9-7-11-4-3-8-14(11,20)10-19/h1-2,5-6,11H,3-4,7-9,20H2
InChIKeyWRUMFSSGSQLUJE-UHFFFAOYSA-N
XLogP3.50
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-[2-(trifluoromethyl)phenoxy]ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-amino-2-[2-[2-(trifluoromethyl)phenoxy]ethyl]cyclopentane-1-carbonitrile (CID 79576663) is 1-amino-2-[2-[2-(trifluoromethyl)phenoxy]ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-amino-2-[2-[2-(trifluoromethyl)phenoxy]ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-amino-2-[2-[2-(trifluoromethyl)phenoxy]ethyl]cyclopentane-1-carbonitrile is N#CC1(N)CCCC1CCOc1ccccc1C(F)(F)F.
What is the InChIKey of 1-amino-2-[2-[2-(trifluoromethyl)phenoxy]ethyl]cyclopentane-1-carbonitrile?
The InChIKey is WRUMFSSGSQLUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c16-15(17,18)12-5-1-2-6-13(12)21-9-7-11-4-3-8-14(11,20)10-19/h1-2,5-6,11H,3-4,7-9,20H2.
What are the key properties of 1-amino-2-[2-[2-(trifluoromethyl)phenoxy]ethyl]cyclopentane-1-carbonitrile?
1-amino-2-[2-[2-(trifluoromethyl)phenoxy]ethyl]cyclopentane-1-carbonitrile has a molecular weight of 298.31 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-[2-(trifluoromethyl)phenoxy]ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79576663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).