2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine

C13H16F3NO — CID 45283482

IUPAC2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine
SMILESNC1CCCCC1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO/c14-13(15,16)9-5-1-3-7-11(9)18-12-8-4-2-6-10(12)17/h1,3,5,7,10,12H,2,4,6,8,17H2
InChIKeyUYFZWJSHGHSTKG-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.35
Rot. Bonds2

About 2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine

2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine (PubChem CID 45283482) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine
PubChem CID45283482
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine
SMILESNC1CCCCC1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO/c14-13(15,16)9-5-1-3-7-11(9)18-12-8-4-2-6-10(12)17/h1,3,5,7,10,12H,2,4,6,8,17H2
InChIKeyUYFZWJSHGHSTKG-UHFFFAOYSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine?
The IUPAC name of 2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine (CID 45283482) is 2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine.
What is the SMILES notation for 2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine?
The canonical SMILES for 2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine is NC1CCCCC1Oc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine?
The InChIKey is UYFZWJSHGHSTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)9-5-1-3-7-11(9)18-12-8-4-2-6-10(12)17/h1,3,5,7,10,12H,2,4,6,8,17H2.
What are the key properties of 2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine?
2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine has a molecular weight of 259.27 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)phenoxy]cyclohexan-1-amine is sourced from PubChem (CID 45283482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).