1-N,1-N,1-N',1-N'-tetraethyl-2,2,2-trifluoroethane-1,1-diamine

C10H21F3N2 — CID 10561221

IUPAC1-N,1-N,1-N',1-N'-tetraethyl-2,2,2-trifluoroethane-1,1-diamine
SMILESCCN(CC)C(N(CC)CC)C(F)(F)F
InChIInChI=1S/C10H21F3N2/c1-5-14(6-2)9(10(11,12)13)15(7-3)8-4/h9H,5-8H2,1-4H3
InChIKeyBBHZVWNEFRQZTL-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.56
Rot. Bonds6

About 1-N,1-N,1-N',1-N'-tetraethyl-2,2,2-trifluoroethane-1,1-diamine

1-N,1-N,1-N',1-N'-tetraethyl-2,2,2-trifluoroethane-1,1-diamine (PubChem CID 10561221) has the molecular formula C10H21F3N2 and a molecular weight of 226.29 g/mol. Its IUPAC name is 1-N,1-N,1-N',1-N'-tetraethyl-2,2,2-trifluoroethane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N,1-N',1-N'-tetraethyl-2,2,2-trifluoroethane-1,1-diamine
PubChem CID10561221
Molecular FormulaC10H21F3N2
Molecular Weight226.29 g/mol
Exact Mass226.17
IUPAC Name1-N,1-N,1-N',1-N'-tetraethyl-2,2,2-trifluoroethane-1,1-diamine
SMILESCCN(CC)C(N(CC)CC)C(F)(F)F
InChIInChI=1S/C10H21F3N2/c1-5-14(6-2)9(10(11,12)13)15(7-3)8-4/h9H,5-8H2,1-4H3
InChIKeyBBHZVWNEFRQZTL-UHFFFAOYSA-N
XLogP2.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 139443820
3-(diethylamino)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol;nickel
CID 169074008
3-(diethylamino)-1,1,1-trifluoro-2-methylbutan-2-ol;nickel
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CID 173030058
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CID 141407063
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CID 61444704
2-N,2-N,5-N,5-N-tetraethylhexane-2,5-diamine
CID 87407207
2-N-ethyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,1-N',1-N'-tetraethyl-2,2,2-trifluoroethane-1,1-diamine?
The IUPAC name of 1-N,1-N,1-N',1-N'-tetraethyl-2,2,2-trifluoroethane-1,1-diamine (CID 10561221) is 1-N,1-N,1-N',1-N'-tetraethyl-2,2,2-trifluoroethane-1,1-diamine.
What is the SMILES notation for 1-N,1-N,1-N',1-N'-tetraethyl-2,2,2-trifluoroethane-1,1-diamine?
The canonical SMILES for 1-N,1-N,1-N',1-N'-tetraethyl-2,2,2-trifluoroethane-1,1-diamine is CCN(CC)C(N(CC)CC)C(F)(F)F.
What is the InChIKey of 1-N,1-N,1-N',1-N'-tetraethyl-2,2,2-trifluoroethane-1,1-diamine?
The InChIKey is BBHZVWNEFRQZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2/c1-5-14(6-2)9(10(11,12)13)15(7-3)8-4/h9H,5-8H2,1-4H3.
What are the key properties of 1-N,1-N,1-N',1-N'-tetraethyl-2,2,2-trifluoroethane-1,1-diamine?
1-N,1-N,1-N',1-N'-tetraethyl-2,2,2-trifluoroethane-1,1-diamine has a molecular weight of 226.29 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,1-N',1-N'-tetraethyl-2,2,2-trifluoroethane-1,1-diamine is sourced from PubChem (CID 10561221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).