2,6-dimethyl-N-(2,2,2-trifluoroethyl)heptan-1-amine

C11H22F3N — CID 114899374

IUPAC2,6-dimethyl-N-(2,2,2-trifluoroethyl)heptan-1-amine
SMILESCC(C)CCCC(C)CNCC(F)(F)F
InChIInChI=1S/C11H22F3N/c1-9(2)5-4-6-10(3)7-15-8-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyGKFNZDQJSGFNPP-UHFFFAOYSA-N
MW225.30 g/mol
LogP3.60
Rot. Bonds7

About 2,6-dimethyl-N-(2,2,2-trifluoroethyl)heptan-1-amine

2,6-dimethyl-N-(2,2,2-trifluoroethyl)heptan-1-amine (PubChem CID 114899374) has the molecular formula C11H22F3N and a molecular weight of 225.30 g/mol. Its IUPAC name is 2,6-dimethyl-N-(2,2,2-trifluoroethyl)heptan-1-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-(2,2,2-trifluoroethyl)heptan-1-amine
PubChem CID114899374
Molecular FormulaC11H22F3N
Molecular Weight225.30 g/mol
Exact Mass225.17
IUPAC Name2,6-dimethyl-N-(2,2,2-trifluoroethyl)heptan-1-amine
SMILESCC(C)CCCC(C)CNCC(F)(F)F
InChIInChI=1S/C11H22F3N/c1-9(2)5-4-6-10(3)7-15-8-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyGKFNZDQJSGFNPP-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-(2,2,2-trifluoroethyl)decan-1-amine
CID 114899272
N-(7-methyloctyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 114004195
2-methyl-3-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 106706230
6,6,6-trifluoro-N,2-dimethylhexan-1-amine
CID 116536282
2-(2-methylpentoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 103285826
1-(2,8-dimethylnonylamino)propan-2-ol
CID 21150228
N-(2,5-dimethylhexyl)-2,5-dimethylhexan-1-amine
CID 19083274
2-methyl-1-N-(5,5,5-trifluoropentyl)heptane-1,6-diamine
CID 115520367
2-methyl-N-(2-methylpropyl)-5-(trifluoromethylsulfanyl)pentan-1-amine
CID 116627253
2-propyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
CID 82983950
2,2,2-trifluoro-N-[2-(3-methylbutylsulfanyl)ethyl]ethanamine
CID 107757717
iodanium N-(2,2-dimethylpropyl)-2-methyldecan-1-amine
CID 172681101

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(2,2,2-trifluoroethyl)heptan-1-amine?
The IUPAC name of 2,6-dimethyl-N-(2,2,2-trifluoroethyl)heptan-1-amine (CID 114899374) is 2,6-dimethyl-N-(2,2,2-trifluoroethyl)heptan-1-amine.
What is the SMILES notation for 2,6-dimethyl-N-(2,2,2-trifluoroethyl)heptan-1-amine?
The canonical SMILES for 2,6-dimethyl-N-(2,2,2-trifluoroethyl)heptan-1-amine is CC(C)CCCC(C)CNCC(F)(F)F.
What is the InChIKey of 2,6-dimethyl-N-(2,2,2-trifluoroethyl)heptan-1-amine?
The InChIKey is GKFNZDQJSGFNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N/c1-9(2)5-4-6-10(3)7-15-8-11(12,13)14/h9-10,15H,4-8H2,1-3H3.
What are the key properties of 2,6-dimethyl-N-(2,2,2-trifluoroethyl)heptan-1-amine?
2,6-dimethyl-N-(2,2,2-trifluoroethyl)heptan-1-amine has a molecular weight of 225.30 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(2,2,2-trifluoroethyl)heptan-1-amine is sourced from PubChem (CID 114899374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).