N-(5,5,5-trifluoropentyl)cyclohex-2-en-1-amine

C11H18F3N — CID 107907633

IUPACN-(5,5,5-trifluoropentyl)cyclohex-2-en-1-amine
SMILESFC(F)(F)CCCCNC1C=CCCC1
InChIInChI=1S/C11H18F3N/c12-11(13,14)8-4-5-9-15-10-6-2-1-3-7-10/h2,6,10,15H,1,3-5,7-9H2
InChIKeyOREQRQTXRNKYFU-UHFFFAOYSA-N
MW221.27 g/mol
LogP3.42
Rot. Bonds5

About N-(5,5,5-trifluoropentyl)cyclohex-2-en-1-amine

N-(5,5,5-trifluoropentyl)cyclohex-2-en-1-amine (PubChem CID 107907633) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is N-(5,5,5-trifluoropentyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-(5,5,5-trifluoropentyl)cyclohex-2-en-1-amine
PubChem CID107907633
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC NameN-(5,5,5-trifluoropentyl)cyclohex-2-en-1-amine
SMILESFC(F)(F)CCCCNC1C=CCCC1
InChIInChI=1S/C11H18F3N/c12-11(13,14)8-4-5-9-15-10-6-2-1-3-7-10/h2,6,10,15H,1,3-5,7-9H2
InChIKeyOREQRQTXRNKYFU-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5,5,5-trifluoropentyl)cyclohex-2-en-1-amine?
The IUPAC name of N-(5,5,5-trifluoropentyl)cyclohex-2-en-1-amine (CID 107907633) is N-(5,5,5-trifluoropentyl)cyclohex-2-en-1-amine.
What is the SMILES notation for N-(5,5,5-trifluoropentyl)cyclohex-2-en-1-amine?
The canonical SMILES for N-(5,5,5-trifluoropentyl)cyclohex-2-en-1-amine is FC(F)(F)CCCCNC1C=CCCC1.
What is the InChIKey of N-(5,5,5-trifluoropentyl)cyclohex-2-en-1-amine?
The InChIKey is OREQRQTXRNKYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N/c12-11(13,14)8-4-5-9-15-10-6-2-1-3-7-10/h2,6,10,15H,1,3-5,7-9H2.
What are the key properties of N-(5,5,5-trifluoropentyl)cyclohex-2-en-1-amine?
N-(5,5,5-trifluoropentyl)cyclohex-2-en-1-amine has a molecular weight of 221.27 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5,5-trifluoropentyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 107907633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).