5-ethoxy-1,1,1-trifluoro-N,6-dimethylheptan-4-amine

C11H22F3NO — CID 116721134

IUPAC5-ethoxy-1,1,1-trifluoro-N,6-dimethylheptan-4-amine
SMILESCCOC(C(C)C)C(CCC(F)(F)F)NC
InChIInChI=1S/C11H22F3NO/c1-5-16-10(8(2)3)9(15-4)6-7-11(12,13)14/h8-10,15H,5-7H2,1-4H3
InChIKeyQUCTXBOKPOFZSN-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.98
Rot. Bonds7

About 5-ethoxy-1,1,1-trifluoro-N,6-dimethylheptan-4-amine

5-ethoxy-1,1,1-trifluoro-N,6-dimethylheptan-4-amine (PubChem CID 116721134) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 5-ethoxy-1,1,1-trifluoro-N,6-dimethylheptan-4-amine.

Molecular Properties

Compound Name5-ethoxy-1,1,1-trifluoro-N,6-dimethylheptan-4-amine
PubChem CID116721134
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name5-ethoxy-1,1,1-trifluoro-N,6-dimethylheptan-4-amine
SMILESCCOC(C(C)C)C(CCC(F)(F)F)NC
InChIInChI=1S/C11H22F3NO/c1-5-16-10(8(2)3)9(15-4)6-7-11(12,13)14/h8-10,15H,5-7H2,1-4H3
InChIKeyQUCTXBOKPOFZSN-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine
CID 54962012
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine
CID 61490525
N-ethyl-3-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 61755094
N-propyl-3-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 61757100
N-methyl-3-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 61757312
3-methyl-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62445779
5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine
CID 62564787
2-(4-methylpentan-2-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62572348
2-(2-ethylhexoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62598118
2-(4-methylpentoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62598827
5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-3-amine
CID 63827134
2,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-4-amine
CID 63827999

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1,1,1-trifluoro-N,6-dimethylheptan-4-amine?
The IUPAC name of 5-ethoxy-1,1,1-trifluoro-N,6-dimethylheptan-4-amine (CID 116721134) is 5-ethoxy-1,1,1-trifluoro-N,6-dimethylheptan-4-amine.
What is the SMILES notation for 5-ethoxy-1,1,1-trifluoro-N,6-dimethylheptan-4-amine?
The canonical SMILES for 5-ethoxy-1,1,1-trifluoro-N,6-dimethylheptan-4-amine is CCOC(C(C)C)C(CCC(F)(F)F)NC.
What is the InChIKey of 5-ethoxy-1,1,1-trifluoro-N,6-dimethylheptan-4-amine?
The InChIKey is QUCTXBOKPOFZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-5-16-10(8(2)3)9(15-4)6-7-11(12,13)14/h8-10,15H,5-7H2,1-4H3.
What are the key properties of 5-ethoxy-1,1,1-trifluoro-N,6-dimethylheptan-4-amine?
5-ethoxy-1,1,1-trifluoro-N,6-dimethylheptan-4-amine has a molecular weight of 241.30 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1,1,1-trifluoro-N,6-dimethylheptan-4-amine is sourced from PubChem (CID 116721134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).