2-N-ethyl-2-N-(2,2,2-trifluoroethyl)heptane-1,2-diamine

C11H23F3N2 — CID 114998355

IUPAC2-N-ethyl-2-N-(2,2,2-trifluoroethyl)heptane-1,2-diamine
SMILESCCCCCC(CN)N(CC)CC(F)(F)F
InChIInChI=1S/C11H23F3N2/c1-3-5-6-7-10(8-15)16(4-2)9-11(12,13)14/h10H,3-9,15H2,1-2H3
InChIKeyZYMUVDVKAYVCCX-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.78
Rot. Bonds8

About 2-N-ethyl-2-N-(2,2,2-trifluoroethyl)heptane-1,2-diamine

2-N-ethyl-2-N-(2,2,2-trifluoroethyl)heptane-1,2-diamine (PubChem CID 114998355) has the molecular formula C11H23F3N2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(2,2,2-trifluoroethyl)heptane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(2,2,2-trifluoroethyl)heptane-1,2-diamine
PubChem CID114998355
Molecular FormulaC11H23F3N2
Molecular Weight240.31 g/mol
Exact Mass240.18
IUPAC Name2-N-ethyl-2-N-(2,2,2-trifluoroethyl)heptane-1,2-diamine
SMILESCCCCCC(CN)N(CC)CC(F)(F)F
InChIInChI=1S/C11H23F3N2/c1-3-5-6-7-10(8-15)16(4-2)9-11(12,13)14/h10H,3-9,15H2,1-2H3
InChIKeyZYMUVDVKAYVCCX-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 78974638
2-N,2-N-diethyloctadecane-1,2-diamine
CID 142627498
2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 78974653
2-N-ethyl-2-N-(2-methylpropyl)octane-1,2-diamine
CID 43273520
2-N-ethyl-2-N-(2-ethylbutyl)octane-1,2-diamine
CID 63472156
2-N,2-N-bis(2-methylpropyl)heptane-1,2-diamine
CID 55193032
2-N-ethyl-2-N-(2-methoxyethyl)octane-1,2-diamine
CID 61448149
2-N,2-N-bis(3-methylbutyl)heptane-1,2-diamine
CID 107869478
2-N,2-N-bis(3-methylbutyl)nonane-1,2-diamine
CID 107869547
2-N-butan-2-yl-2-N-ethyloctane-1,2-diamine
CID 43274343
2-N-(cyclopropylmethyl)-2-N-propylnonane-1,2-diamine
CID 63472517
N,N-diethyltridecan-4-amine
CID 159822270

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(2,2,2-trifluoroethyl)heptane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(2,2,2-trifluoroethyl)heptane-1,2-diamine (CID 114998355) is 2-N-ethyl-2-N-(2,2,2-trifluoroethyl)heptane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(2,2,2-trifluoroethyl)heptane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(2,2,2-trifluoroethyl)heptane-1,2-diamine is CCCCCC(CN)N(CC)CC(F)(F)F.
What is the InChIKey of 2-N-ethyl-2-N-(2,2,2-trifluoroethyl)heptane-1,2-diamine?
The InChIKey is ZYMUVDVKAYVCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2/c1-3-5-6-7-10(8-15)16(4-2)9-11(12,13)14/h10H,3-9,15H2,1-2H3.
What are the key properties of 2-N-ethyl-2-N-(2,2,2-trifluoroethyl)heptane-1,2-diamine?
2-N-ethyl-2-N-(2,2,2-trifluoroethyl)heptane-1,2-diamine has a molecular weight of 240.31 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(2,2,2-trifluoroethyl)heptane-1,2-diamine is sourced from PubChem (CID 114998355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).