2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-amine

C12H14F3NO — CID 83488188

IUPAC2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-amine
SMILESNC1CCCC1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)8-4-6-9(7-5-8)17-11-3-1-2-10(11)16/h4-7,10-11H,1-3,16H2
InChIKeyDMKYUASDWVWKLA-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.96
Rot. Bonds2

About 2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-amine

2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-amine (PubChem CID 83488188) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-amine
PubChem CID83488188
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-amine
SMILESNC1CCCC1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)8-4-6-9(7-5-8)17-11-3-1-2-10(11)16/h4-7,10-11H,1-3,16H2
InChIKeyDMKYUASDWVWKLA-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-amine?
The IUPAC name of 2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-amine (CID 83488188) is 2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-amine.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-amine?
The canonical SMILES for 2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-amine is NC1CCCC1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-amine?
The InChIKey is DMKYUASDWVWKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-12(14,15)8-4-6-9(7-5-8)17-11-3-1-2-10(11)16/h4-7,10-11H,1-3,16H2.
What are the key properties of 2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-amine?
2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-amine has a molecular weight of 245.24 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-amine is sourced from PubChem (CID 83488188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).