N,N-diethyl-7,7,7-trifluoro-3-hydrazinyl-2-methylheptan-2-amine

C12H26F3N3 — CID 105239263

IUPACN,N-diethyl-7,7,7-trifluoro-3-hydrazinyl-2-methylheptan-2-amine
SMILESCCN(CC)C(C)(C)C(CCCC(F)(F)F)NN
InChIInChI=1S/C12H26F3N3/c1-5-18(6-2)11(3,4)10(17-16)8-7-9-12(13,14)15/h10,17H,5-9,16H2,1-4H3
InChIKeyQYHKEFDSSHPENU-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.67
Rot. Bonds8

About N,N-diethyl-7,7,7-trifluoro-3-hydrazinyl-2-methylheptan-2-amine

N,N-diethyl-7,7,7-trifluoro-3-hydrazinyl-2-methylheptan-2-amine (PubChem CID 105239263) has the molecular formula C12H26F3N3 and a molecular weight of 269.35 g/mol. Its IUPAC name is N,N-diethyl-7,7,7-trifluoro-3-hydrazinyl-2-methylheptan-2-amine.

Molecular Properties

Compound NameN,N-diethyl-7,7,7-trifluoro-3-hydrazinyl-2-methylheptan-2-amine
PubChem CID105239263
Molecular FormulaC12H26F3N3
Molecular Weight269.35 g/mol
Exact Mass269.21
IUPAC NameN,N-diethyl-7,7,7-trifluoro-3-hydrazinyl-2-methylheptan-2-amine
SMILESCCN(CC)C(C)(C)C(CCCC(F)(F)F)NN
InChIInChI=1S/C12H26F3N3/c1-5-18(6-2)11(3,4)10(17-16)8-7-9-12(13,14)15/h10,17H,5-9,16H2,1-4H3
InChIKeyQYHKEFDSSHPENU-UHFFFAOYSA-N
XLogP2.67
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-7,7,7-trifluoro-3-hydrazinyl-2-methylheptan-2-amine?
The IUPAC name of N,N-diethyl-7,7,7-trifluoro-3-hydrazinyl-2-methylheptan-2-amine (CID 105239263) is N,N-diethyl-7,7,7-trifluoro-3-hydrazinyl-2-methylheptan-2-amine.
What is the SMILES notation for N,N-diethyl-7,7,7-trifluoro-3-hydrazinyl-2-methylheptan-2-amine?
The canonical SMILES for N,N-diethyl-7,7,7-trifluoro-3-hydrazinyl-2-methylheptan-2-amine is CCN(CC)C(C)(C)C(CCCC(F)(F)F)NN.
What is the InChIKey of N,N-diethyl-7,7,7-trifluoro-3-hydrazinyl-2-methylheptan-2-amine?
The InChIKey is QYHKEFDSSHPENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26F3N3/c1-5-18(6-2)11(3,4)10(17-16)8-7-9-12(13,14)15/h10,17H,5-9,16H2,1-4H3.
What are the key properties of N,N-diethyl-7,7,7-trifluoro-3-hydrazinyl-2-methylheptan-2-amine?
N,N-diethyl-7,7,7-trifluoro-3-hydrazinyl-2-methylheptan-2-amine has a molecular weight of 269.35 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-7,7,7-trifluoro-3-hydrazinyl-2-methylheptan-2-amine is sourced from PubChem (CID 105239263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).