2-amino-5-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol

C12H14F3NO2 — CID 19850274

IUPAC2-amino-5-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol
SMILESNC1CCC(Oc2ccc(C(F)(F)F)cc2)C1O
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)7-1-3-8(4-2-7)18-10-6-5-9(16)11(10)17/h1-4,9-11,17H,5-6,16H2
InChIKeyFYQXNIXXLTXGMT-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.93
Rot. Bonds2

About 2-amino-5-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol

2-amino-5-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol (PubChem CID 19850274) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-amino-5-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol.

Molecular Properties

Compound Name2-amino-5-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol
PubChem CID19850274
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2-amino-5-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol
SMILESNC1CCC(Oc2ccc(C(F)(F)F)cc2)C1O
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)7-1-3-8(4-2-7)18-10-6-5-9(16)11(10)17/h1-4,9-11,17H,5-6,16H2
InChIKeyFYQXNIXXLTXGMT-UHFFFAOYSA-N
XLogP1.93
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol?
The IUPAC name of 2-amino-5-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol (CID 19850274) is 2-amino-5-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol.
What is the SMILES notation for 2-amino-5-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol?
The canonical SMILES for 2-amino-5-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol is NC1CCC(Oc2ccc(C(F)(F)F)cc2)C1O.
What is the InChIKey of 2-amino-5-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol?
The InChIKey is FYQXNIXXLTXGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c13-12(14,15)7-1-3-8(4-2-7)18-10-6-5-9(16)11(10)17/h1-4,9-11,17H,5-6,16H2.
What are the key properties of 2-amino-5-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol?
2-amino-5-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol has a molecular weight of 261.24 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol is sourced from PubChem (CID 19850274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).