N-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-amine

C12H14F4N2 — CID 71627559

IUPACN-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-amine
SMILESFc1cccc(C(F)(F)F)c1NN1CCCCC1
InChIInChI=1S/C12H14F4N2/c13-10-6-4-5-9(12(14,15)16)11(10)17-18-7-2-1-3-8-18/h4-6,17H,1-3,7-8H2
InChIKeyHHSZCBXHRWVEMV-UHFFFAOYSA-N
MW262.25 g/mol
LogP3.66
Rot. Bonds2

About N-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-amine

N-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-amine (PubChem CID 71627559) has the molecular formula C12H14F4N2 and a molecular weight of 262.25 g/mol. Its IUPAC name is N-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-amine.

Molecular Properties

Compound NameN-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-amine
PubChem CID71627559
Molecular FormulaC12H14F4N2
Molecular Weight262.25 g/mol
Exact Mass262.11
IUPAC NameN-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-amine
SMILESFc1cccc(C(F)(F)F)c1NN1CCCCC1
InChIInChI=1S/C12H14F4N2/c13-10-6-4-5-9(12(14,15)16)11(10)17-18-7-2-1-3-8-18/h4-6,17H,1-3,7-8H2
InChIKeyHHSZCBXHRWVEMV-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-amine?
The IUPAC name of N-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-amine (CID 71627559) is N-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-amine.
What is the SMILES notation for N-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-amine?
The canonical SMILES for N-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-amine is Fc1cccc(C(F)(F)F)c1NN1CCCCC1.
What is the InChIKey of N-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-amine?
The InChIKey is HHSZCBXHRWVEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2/c13-10-6-4-5-9(12(14,15)16)11(10)17-18-7-2-1-3-8-18/h4-6,17H,1-3,7-8H2.
What are the key properties of N-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-amine?
N-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-amine has a molecular weight of 262.25 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-amine is sourced from PubChem (CID 71627559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).