N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine

C8H17F3N2 — CID 61150221

IUPACN'-(2,2,2-trifluoroethyl)hexane-1,6-diamine
SMILESNCCCCCCNCC(F)(F)F
InChIInChI=1S/C8H17F3N2/c9-8(10,11)7-13-6-4-2-1-3-5-12/h13H,1-7,12H2
InChIKeyCJGKEIMAMOURKE-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.66
Rot. Bonds7

About N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine

N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine (PubChem CID 61150221) has the molecular formula C8H17F3N2 and a molecular weight of 198.23 g/mol. Its IUPAC name is N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-(2,2,2-trifluoroethyl)hexane-1,6-diamine
PubChem CID61150221
Molecular FormulaC8H17F3N2
Molecular Weight198.23 g/mol
Exact Mass198.13
IUPAC NameN'-(2,2,2-trifluoroethyl)hexane-1,6-diamine
SMILESNCCCCCCNCC(F)(F)F
InChIInChI=1S/C8H17F3N2/c9-8(10,11)7-13-6-4-2-1-3-5-12/h13H,1-7,12H2
InChIKeyCJGKEIMAMOURKE-UHFFFAOYSA-N
XLogP1.66
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.66
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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Related Compounds

N'-(3,3,3-trifluoropropyl)hexane-1,6-diamine
CID 63228081
N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
CID 87880552
3,3-dimethyl-N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine
CID 65296229
4-chloro-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 106844209
N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine
CID 126572860
N'-(3-(15N)azanylpropyl)(1,4-13C2)butane-1,4-di(15N2)amine
CID 10845260
N'-(3-aminopropyl)butane-1,4-diamine;N'-(3-aminopropyl)propane-1,3-diamine
CID 87964762
N-(7-methyloctyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 114004195
N-(4,4,4-trifluorobutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115520284
N'-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115513666
N-(2,2,2-trifluoroethyl)hex-5-yn-1-amine
CID 106211409
N'-(3-aminopropyl)butane-1,4-diamine;methane
CID 175217679

Frequently Asked Questions

What is the IUPAC name of N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine?
The IUPAC name of N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine (CID 61150221) is N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine.
What is the SMILES notation for N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine?
The canonical SMILES for N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine is NCCCCCCNCC(F)(F)F.
What is the InChIKey of N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine?
The InChIKey is CJGKEIMAMOURKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2/c9-8(10,11)7-13-6-4-2-1-3-5-12/h13H,1-7,12H2.
What are the key properties of N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine?
N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine has a molecular weight of 198.23 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine is sourced from PubChem (CID 61150221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).