N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine;2-methylbutane

C12H26F3N — CID 170732267

IUPACN-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine;2-methylbutane
SMILESCCC(C)C.CCCN(CC)CC(F)(F)F
InChIInChI=1S/C7H14F3N.C5H12/c1-3-5-11(4-2)6-7(8,9)10;1-4-5(2)3/h3-6H2,1-2H3;5H,4H2,1-3H3
InChIKeyYYPAJMYGOFWIRG-UHFFFAOYSA-N
MW241.34 g/mol
LogP4.33
Rot. Bonds5

About N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine;2-methylbutane

N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine;2-methylbutane (PubChem CID 170732267) has the molecular formula C12H26F3N and a molecular weight of 241.34 g/mol. Its IUPAC name is N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine;2-methylbutane.

Molecular Properties

Compound NameN-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine;2-methylbutane
PubChem CID170732267
Molecular FormulaC12H26F3N
Molecular Weight241.34 g/mol
Exact Mass241.20
IUPAC NameN-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine;2-methylbutane
SMILESCCC(C)C.CCCN(CC)CC(F)(F)F
InChIInChI=1S/C7H14F3N.C5H12/c1-3-5-11(4-2)6-7(8,9)10;1-4-5(2)3/h3-6H2,1-2H3;5H,4H2,1-3H3
InChIKeyYYPAJMYGOFWIRG-UHFFFAOYSA-N
XLogP4.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N'-ethyl-N-(3-methylbutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62555477
N'-ethyl-N-(2-methylpropyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62426982
N,2-dimethyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62426117
N,N-diethylpropan-1-amine;2-methylpropane
CID 143334042
N-ethyl-N-(2,2,2-trifluoroethyl)pent-4-yn-1-amine
CID 115873084
1-N,3-N-diethyl-4,4-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine
CID 62624262
1-[ethyl(propyl)amino]-2,3-dimethylbutan-2-ol
CID 114448900
N-ethyl-2-methyl-N'-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62426258
1-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol
CID 64821124
N-ethyl-3-methyl-N-propylbutan-1-amine
CID 89085287
3-[ethyl(propyl)amino]-2,2-dimethylpropan-1-ol
CID 62270214
4-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)hexane-1,4-diamine
CID 106799639

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine;2-methylbutane?
The IUPAC name of N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine;2-methylbutane (CID 170732267) is N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine;2-methylbutane.
What is the SMILES notation for N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine;2-methylbutane?
The canonical SMILES for N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine;2-methylbutane is CCC(C)C.CCCN(CC)CC(F)(F)F.
What is the InChIKey of N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine;2-methylbutane?
The InChIKey is YYPAJMYGOFWIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N.C5H12/c1-3-5-11(4-2)6-7(8,9)10;1-4-5(2)3/h3-6H2,1-2H3;5H,4H2,1-3H3.
What are the key properties of N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine;2-methylbutane?
N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine;2-methylbutane has a molecular weight of 241.34 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine;2-methylbutane is sourced from PubChem (CID 170732267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).