N'-cyclopentyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C9H17F3N2 — CID 61151300

IUPACN'-cyclopentyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESFC(F)(F)CNCCNC1CCCC1
InChIInChI=1S/C9H17F3N2/c10-9(11,12)7-13-5-6-14-8-3-1-2-4-8/h8,13-14H,1-7H2
InChIKeyBJYRDIFDWLMPIM-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.67
Rot. Bonds5

About N'-cyclopentyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-cyclopentyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 61151300) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N'-cyclopentyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID61151300
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC NameN'-cyclopentyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESFC(F)(F)CNCCNC1CCCC1
InChIInChI=1S/C9H17F3N2/c10-9(11,12)7-13-5-6-14-8-3-1-2-4-8/h8,13-14H,1-7H2
InChIKeyBJYRDIFDWLMPIM-UHFFFAOYSA-N
XLogP1.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-cyclopentyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 61151300) is N'-cyclopentyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is FC(F)(F)CNCCNC1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is BJYRDIFDWLMPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c10-9(11,12)7-13-5-6-14-8-3-1-2-4-8/h8,13-14H,1-7H2.
What are the key properties of N'-cyclopentyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-cyclopentyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 210.24 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 61151300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).