3-(2-ethylhexoxy)-4,4,4-trifluorobutan-1-amine

C12H24F3NO — CID 43753333

IUPAC3-(2-ethylhexoxy)-4,4,4-trifluorobutan-1-amine
SMILESCCCCC(CC)COC(CCN)C(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-3-5-6-10(4-2)9-17-11(7-8-16)12(13,14)15/h10-11H,3-9,16H2,1-2H3
InChIKeyJJYWORCARRJIMQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.50
Rot. Bonds9

About 3-(2-ethylhexoxy)-4,4,4-trifluorobutan-1-amine

3-(2-ethylhexoxy)-4,4,4-trifluorobutan-1-amine (PubChem CID 43753333) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-(2-ethylhexoxy)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name3-(2-ethylhexoxy)-4,4,4-trifluorobutan-1-amine
PubChem CID43753333
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC Name3-(2-ethylhexoxy)-4,4,4-trifluorobutan-1-amine
SMILESCCCCC(CC)COC(CCN)C(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-3-5-6-10(4-2)9-17-11(7-8-16)12(13,14)15/h10-11H,3-9,16H2,1-2H3
InChIKeyJJYWORCARRJIMQ-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Pentanamine, 3-[(2-ethylhexyl)oxy]-
CID 19432124
2-(2,6-Dimethyloxan-4-yl)-2-fluoroethanamine
CID 124157739
2-Propyl-1-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 146397104
[2-(2,2,2-Trifluoroethoxy)cyclopentyl]methanamine
CID 43428736
[4-Methyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43428739
[2-(2,2,2-Trifluoroethoxy)cycloheptyl]methanamine
CID 43428740
[2-(2,2,2-Trifluoroethoxy)cyclohexyl]methanamine
CID 43428741
[2-(2,2,3,3-Tetrafluoropropoxy)cyclohexyl]methanamine
CID 43428924
3,3,3-Trifluoro-2-(4-methylcyclohexyl)oxypropan-1-amine
CID 43752921
2-(2-Ethylhexoxy)-3,3,3-trifluoropropan-1-amine
CID 43752959
4,4,4-Trifluoro-3-(4-methylcyclohexyl)oxybutan-1-amine
CID 43753305
3-(2-Ethylcyclohexyl)oxy-4,4,4-trifluorobutan-1-amine
CID 43753306

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylhexoxy)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 3-(2-ethylhexoxy)-4,4,4-trifluorobutan-1-amine (CID 43753333) is 3-(2-ethylhexoxy)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 3-(2-ethylhexoxy)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 3-(2-ethylhexoxy)-4,4,4-trifluorobutan-1-amine is CCCCC(CC)COC(CCN)C(F)(F)F.
What is the InChIKey of 3-(2-ethylhexoxy)-4,4,4-trifluorobutan-1-amine?
The InChIKey is JJYWORCARRJIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-3-5-6-10(4-2)9-17-11(7-8-16)12(13,14)15/h10-11H,3-9,16H2,1-2H3.
What are the key properties of 3-(2-ethylhexoxy)-4,4,4-trifluorobutan-1-amine?
3-(2-ethylhexoxy)-4,4,4-trifluorobutan-1-amine has a molecular weight of 255.32 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexoxy)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 43753333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).