2-ethyl-2-(2,2,2-trifluoroethoxymethyl)hexan-1-amine

C11H22F3NO — CID 106705975

IUPAC2-ethyl-2-(2,2,2-trifluoroethoxymethyl)hexan-1-amine
SMILESCCCCC(CC)(CN)COCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-3-5-6-10(4-2,7-15)8-16-9-11(12,13)14/h3-9,15H2,1-2H3
InChIKeyDHFIQKKXTLUCCN-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.11
Rot. Bonds8

About 2-ethyl-2-(2,2,2-trifluoroethoxymethyl)hexan-1-amine

2-ethyl-2-(2,2,2-trifluoroethoxymethyl)hexan-1-amine (PubChem CID 106705975) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 2-ethyl-2-(2,2,2-trifluoroethoxymethyl)hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-(2,2,2-trifluoroethoxymethyl)hexan-1-amine
PubChem CID106705975
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name2-ethyl-2-(2,2,2-trifluoroethoxymethyl)hexan-1-amine
SMILESCCCCC(CC)(CN)COCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-3-5-6-10(4-2,7-15)8-16-9-11(12,13)14/h3-9,15H2,1-2H3
InChIKeyDHFIQKKXTLUCCN-UHFFFAOYSA-N
XLogP3.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(Difluoromethoxymethyl)cyclopentyl]methanamine
CID 130194759
4-(Difluoromethoxy)-2,2-dipropylhexan-1-amine
CID 168880948
3-(2-Ethylhexoxy)-4,4,4-trifluorobutan-1-amine
CID 43753333
2-Ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine
CID 55106535
2-ethyl-N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine
CID 55106940
2-[2-(2,2,2-Trifluoroethoxy)ethyl]pentan-1-amine
CID 62505560
2-Propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505889
2-Ethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505913
2-Ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine
CID 62723303
2-Methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62723497
2,2-Diethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62723900
2-Ethyl-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62724916

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2,2,2-trifluoroethoxymethyl)hexan-1-amine?
The IUPAC name of 2-ethyl-2-(2,2,2-trifluoroethoxymethyl)hexan-1-amine (CID 106705975) is 2-ethyl-2-(2,2,2-trifluoroethoxymethyl)hexan-1-amine.
What is the SMILES notation for 2-ethyl-2-(2,2,2-trifluoroethoxymethyl)hexan-1-amine?
The canonical SMILES for 2-ethyl-2-(2,2,2-trifluoroethoxymethyl)hexan-1-amine is CCCCC(CC)(CN)COCC(F)(F)F.
What is the InChIKey of 2-ethyl-2-(2,2,2-trifluoroethoxymethyl)hexan-1-amine?
The InChIKey is DHFIQKKXTLUCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-3-5-6-10(4-2,7-15)8-16-9-11(12,13)14/h3-9,15H2,1-2H3.
What are the key properties of 2-ethyl-2-(2,2,2-trifluoroethoxymethyl)hexan-1-amine?
2-ethyl-2-(2,2,2-trifluoroethoxymethyl)hexan-1-amine has a molecular weight of 241.30 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2,2,2-trifluoroethoxymethyl)hexan-1-amine is sourced from PubChem (CID 106705975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).