N-butyl-2-(trifluoromethyl)cyclohexan-1-amine

C11H20F3N — CID 43434510

IUPACN-butyl-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCCNC1CCCCC1C(F)(F)F
InChIInChI=1S/C11H20F3N/c1-2-3-8-15-10-7-5-4-6-9(10)11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyYXLNSIAZUGYOKT-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.50
Rot. Bonds4

About N-butyl-2-(trifluoromethyl)cyclohexan-1-amine

N-butyl-2-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 43434510) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is N-butyl-2-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-butyl-2-(trifluoromethyl)cyclohexan-1-amine
PubChem CID43434510
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC NameN-butyl-2-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCCNC1CCCCC1C(F)(F)F
InChIInChI=1S/C11H20F3N/c1-2-3-8-15-10-7-5-4-6-9(10)11(12,13)14/h9-10,15H,2-8H2,1H3
InChIKeyYXLNSIAZUGYOKT-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-butyl-2-(trifluoromethyl)cyclohexan-1-amine (CID 43434510) is N-butyl-2-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-butyl-2-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-butyl-2-(trifluoromethyl)cyclohexan-1-amine is CCCCNC1CCCCC1C(F)(F)F.
What is the InChIKey of N-butyl-2-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is YXLNSIAZUGYOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N/c1-2-3-8-15-10-7-5-4-6-9(10)11(12,13)14/h9-10,15H,2-8H2,1H3.
What are the key properties of N-butyl-2-(trifluoromethyl)cyclohexan-1-amine?
N-butyl-2-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 223.28 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 43434510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).