2-ethyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine

C11H22F3N — CID 166870840

IUPAC2-ethyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
SMILESCCC(CNCC(F)(F)F)CC(C)(C)C
InChIInChI=1S/C11H22F3N/c1-5-9(6-10(2,3)4)7-15-8-11(12,13)14/h9,15H,5-8H2,1-4H3
InChIKeyPQQDVDIWHBCFEC-UHFFFAOYSA-N
MW225.30 g/mol
LogP3.60
Rot. Bonds5

About 2-ethyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine

2-ethyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine (PubChem CID 166870840) has the molecular formula C11H22F3N and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-ethyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine.

Molecular Properties

Compound Name2-ethyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
PubChem CID166870840
Molecular FormulaC11H22F3N
Molecular Weight225.30 g/mol
Exact Mass225.17
IUPAC Name2-ethyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
SMILESCCC(CNCC(F)(F)F)CC(C)(C)C
InChIInChI=1S/C11H22F3N/c1-5-9(6-10(2,3)4)7-15-8-11(12,13)14/h9,15H,5-8H2,1-4H3
InChIKeyPQQDVDIWHBCFEC-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

4-(3,3-Difluorobutyl)piperidine
CID 84656072
5-Trimethylhexylamine
CID 123139671
1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 19761945
1,1,2,3,3,4,4,5,5,5-decafluoro-N-(2-methylpropyl)-2-(trifluoromethyl)pentan-1-amine
CID 19761974
3,5,5-Trimethyl-N-(3,5,5-trimethylhexyl)hexan-1-amine
CID 22117747
1,2-difluoro-N-(3-methylpentyl)hexan-1-amine
CID 22348799
1,6-difluoro-N-(4-methylpentyl)hexan-1-amine
CID 22349072
3-ethyl-N-(1,1,2,2,2-pentafluoroethyl)heptan-1-amine
CID 22637491
2-methyl-N-(1,1,2,2,2-pentafluoroethyl)pentan-1-amine
CID 22637562
5-ethyl-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)octan-1-amine
CID 23123210
3-ethyl-N-(fluoromethyl)heptan-1-amine
CID 23123498
N-(cyclohexylmethyl)-2,2,2-trifluoroethanamine
CID 24692618

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine?
The IUPAC name of 2-ethyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine (CID 166870840) is 2-ethyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine.
What is the SMILES notation for 2-ethyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine?
The canonical SMILES for 2-ethyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine is CCC(CNCC(F)(F)F)CC(C)(C)C.
What is the InChIKey of 2-ethyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine?
The InChIKey is PQQDVDIWHBCFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N/c1-5-9(6-10(2,3)4)7-15-8-11(12,13)14/h9,15H,5-8H2,1-4H3.
What are the key properties of 2-ethyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine?
2-ethyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine has a molecular weight of 225.30 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentan-1-amine is sourced from PubChem (CID 166870840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).