N-(2,2,2-trifluoroethyl)nonan-2-amine

C11H22F3N — CID 43129666

IUPACN-(2,2,2-trifluoroethyl)nonan-2-amine
SMILESCCCCCCCC(C)NCC(F)(F)F
InChIInChI=1S/C11H22F3N/c1-3-4-5-6-7-8-10(2)15-9-11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyUJHJYGDEWLIYBM-UHFFFAOYSA-N
MW225.30 g/mol
LogP3.89
Rot. Bonds8

About N-(2,2,2-trifluoroethyl)nonan-2-amine

N-(2,2,2-trifluoroethyl)nonan-2-amine (PubChem CID 43129666) has the molecular formula C11H22F3N and a molecular weight of 225.30 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)nonan-2-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)nonan-2-amine
PubChem CID43129666
Molecular FormulaC11H22F3N
Molecular Weight225.30 g/mol
Exact Mass225.17
IUPAC NameN-(2,2,2-trifluoroethyl)nonan-2-amine
SMILESCCCCCCCC(C)NCC(F)(F)F
InChIInChI=1S/C11H22F3N/c1-3-4-5-6-7-8-10(2)15-9-11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyUJHJYGDEWLIYBM-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[[(2R)-nonan-2-yl]amino]propan-2-ol
CID 98118384
N-(2-methoxy-2-methylpropyl)nonan-2-amine
CID 104759526
6,6,6-trifluoro-N-hexylhexan-2-amine
CID 116534124
1-(heptan-2-ylamino)-2,3-dimethylpentan-2-ol
CID 115719513
N-octan-2-ylundecan-1-amine
CID 150124606
N-butylundecan-2-amine
CID 90035852
N-propylnonan-2-amine
CID 43129664
N-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylnonan-1-amine
CID 63491715
N-heptan-2-yldodecan-1-amine
CID 63491878
2-methyl-N-(2,2,2-trifluoroethyl)decan-1-amine
CID 114899272
2,2-dimethyl-3-(octan-2-ylamino)propanoic acid
CID 79623645

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)nonan-2-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)nonan-2-amine (CID 43129666) is N-(2,2,2-trifluoroethyl)nonan-2-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)nonan-2-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)nonan-2-amine is CCCCCCCC(C)NCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethyl)nonan-2-amine?
The InChIKey is UJHJYGDEWLIYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N/c1-3-4-5-6-7-8-10(2)15-9-11(12,13)14/h10,15H,3-9H2,1-2H3.
What are the key properties of N-(2,2,2-trifluoroethyl)nonan-2-amine?
N-(2,2,2-trifluoroethyl)nonan-2-amine has a molecular weight of 225.30 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)nonan-2-amine is sourced from PubChem (CID 43129666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).