N-[2-(trifluoromethyl)cyclohexyl]pyrrol-1-amine

C11H15F3N2 — CID 79090327

IUPACN-[2-(trifluoromethyl)cyclohexyl]pyrrol-1-amine
SMILESFC(F)(F)C1CCCCC1Nn1cccc1
InChIInChI=1S/C11H15F3N2/c12-11(13,14)9-5-1-2-6-10(9)15-16-7-3-4-8-16/h3-4,7-10,15H,1-2,5-6H2
InChIKeyMPQPZUXQCUZZQM-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.15
Rot. Bonds2

About N-[2-(trifluoromethyl)cyclohexyl]pyrrol-1-amine

N-[2-(trifluoromethyl)cyclohexyl]pyrrol-1-amine (PubChem CID 79090327) has the molecular formula C11H15F3N2 and a molecular weight of 232.25 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)cyclohexyl]pyrrol-1-amine.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)cyclohexyl]pyrrol-1-amine
PubChem CID79090327
Molecular FormulaC11H15F3N2
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC NameN-[2-(trifluoromethyl)cyclohexyl]pyrrol-1-amine
SMILESFC(F)(F)C1CCCCC1Nn1cccc1
InChIInChI=1S/C11H15F3N2/c12-11(13,14)9-5-1-2-6-10(9)15-16-7-3-4-8-16/h3-4,7-10,15H,1-2,5-6H2
InChIKeyMPQPZUXQCUZZQM-UHFFFAOYSA-N
XLogP3.15
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)cyclohexyl]pyrrol-1-amine?
The IUPAC name of N-[2-(trifluoromethyl)cyclohexyl]pyrrol-1-amine (CID 79090327) is N-[2-(trifluoromethyl)cyclohexyl]pyrrol-1-amine.
What is the SMILES notation for N-[2-(trifluoromethyl)cyclohexyl]pyrrol-1-amine?
The canonical SMILES for N-[2-(trifluoromethyl)cyclohexyl]pyrrol-1-amine is FC(F)(F)C1CCCCC1Nn1cccc1.
What is the InChIKey of N-[2-(trifluoromethyl)cyclohexyl]pyrrol-1-amine?
The InChIKey is MPQPZUXQCUZZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2/c12-11(13,14)9-5-1-2-6-10(9)15-16-7-3-4-8-16/h3-4,7-10,15H,1-2,5-6H2.
What are the key properties of N-[2-(trifluoromethyl)cyclohexyl]pyrrol-1-amine?
N-[2-(trifluoromethyl)cyclohexyl]pyrrol-1-amine has a molecular weight of 232.25 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)cyclohexyl]pyrrol-1-amine is sourced from PubChem (CID 79090327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).