N'-(3,3,3-trifluoropropyl)hexane-1,6-diamine

C9H19F3N2 — CID 63228081

IUPACN'-(3,3,3-trifluoropropyl)hexane-1,6-diamine
SMILESNCCCCCCNCCC(F)(F)F
InChIInChI=1S/C9H19F3N2/c10-9(11,12)5-8-14-7-4-2-1-3-6-13/h14H,1-8,13H2
InChIKeyUEODUEJVSGXGNP-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.05
Rot. Bonds8

About N'-(3,3,3-trifluoropropyl)hexane-1,6-diamine

N'-(3,3,3-trifluoropropyl)hexane-1,6-diamine (PubChem CID 63228081) has the molecular formula C9H19F3N2 and a molecular weight of 212.26 g/mol. Its IUPAC name is N'-(3,3,3-trifluoropropyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-(3,3,3-trifluoropropyl)hexane-1,6-diamine
PubChem CID63228081
Molecular FormulaC9H19F3N2
Molecular Weight212.26 g/mol
Exact Mass212.15
IUPAC NameN'-(3,3,3-trifluoropropyl)hexane-1,6-diamine
SMILESNCCCCCCNCCC(F)(F)F
InChIInChI=1S/C9H19F3N2/c10-9(11,12)5-8-14-7-4-2-1-3-6-13/h14H,1-8,13H2
InChIKeyUEODUEJVSGXGNP-UHFFFAOYSA-N
XLogP2.05
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.05
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'-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115513666
N'-(6-aminohexyl)hexane-1,6-diamine;N'-(5-aminopentyl)pentane-1,5-diamine
CID 87880552
N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine
CID 61150221
N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 115513664
N'-(2-aminoethyl)propane-1,3-diamine;N'-(6-aminohexyl)hexane-1,6-diamine
CID 126572860
10,10,10-trifluorodecan-1-amine
CID 151642080
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'-(3-aminopropyl)butane-1,4-diamine;methane
CID 175217679
tris(N'-(3-aminopropyl)butane-1,4-diamine);trihydrochloride
CID 173282835
1-N-(3,3,3-trifluoropropyl)hexane-1,5-diamine
CID 82853346
5-(3,3,3-trifluoropropylamino)pentanenitrile
CID 63226133

Frequently Asked Questions

What is the IUPAC name of N'-(3,3,3-trifluoropropyl)hexane-1,6-diamine?
The IUPAC name of N'-(3,3,3-trifluoropropyl)hexane-1,6-diamine (CID 63228081) is N'-(3,3,3-trifluoropropyl)hexane-1,6-diamine.
What is the SMILES notation for N'-(3,3,3-trifluoropropyl)hexane-1,6-diamine?
The canonical SMILES for N'-(3,3,3-trifluoropropyl)hexane-1,6-diamine is NCCCCCCNCCC(F)(F)F.
What is the InChIKey of N'-(3,3,3-trifluoropropyl)hexane-1,6-diamine?
The InChIKey is UEODUEJVSGXGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2/c10-9(11,12)5-8-14-7-4-2-1-3-6-13/h14H,1-8,13H2.
What are the key properties of N'-(3,3,3-trifluoropropyl)hexane-1,6-diamine?
N'-(3,3,3-trifluoropropyl)hexane-1,6-diamine has a molecular weight of 212.26 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3,3-trifluoropropyl)hexane-1,6-diamine is sourced from PubChem (CID 63228081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).