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

C12H16F3NO — CID 43753350

IUPAC3-(2-ethylphenoxy)-4,4,4-trifluorobutan-1-amine
SMILESCCc1ccccc1OC(CCN)C(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-2-9-5-3-4-6-10(9)17-11(7-8-16)12(13,14)15/h3-6,11H,2,7-8,16H2,1H3
InChIKeyABTPZQOPZCALIC-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.91
Rot. Bonds5

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

3-(2-ethylphenoxy)-4,4,4-trifluorobutan-1-amine (PubChem CID 43753350) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 3-(2-ethylphenoxy)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name3-(2-ethylphenoxy)-4,4,4-trifluorobutan-1-amine
PubChem CID43753350
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name3-(2-ethylphenoxy)-4,4,4-trifluorobutan-1-amine
SMILESCCc1ccccc1OC(CCN)C(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-2-9-5-3-4-6-10(9)17-11(7-8-16)12(13,14)15/h3-6,11H,2,7-8,16H2,1H3
InChIKeyABTPZQOPZCALIC-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-amino-1,1,1-trifluorobutan-2-yl)oxybenzamide
CID 43753315
2-(2-ethylphenoxy)pentan-1-amine
CID 83044721
3-(4-tert-butyl-2-methylphenoxy)-4,4,4-trifluorobutan-1-amine
CID 43753347
1-(1,1-difluoroethoxy)-2-ethylbenzene
CID 144727435
1-(2-ethylphenoxy)ethanol
CID 154419184
1-butan-2-yloxy-2-ethylbenzene
CID 64763289
ethane;1-ethyl-2-(trifluoromethoxy)benzene
CID 177219375
2-(3-amino-1,1,1-trifluoropropan-2-yl)oxybenzonitrile
CID 43752912
3-(4-amino-1,1,1-trifluorobutan-2-yl)oxy-N,N-dimethylaniline
CID 61229278
N'-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylethane-1,2-diamine
CID 62681478
methyl 2-(2-ethylphenoxy)propanoate
CID 60643103
methyl (2R)-2-(2-ethylphenoxy)propanoate
CID 103337851

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenoxy)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 3-(2-ethylphenoxy)-4,4,4-trifluorobutan-1-amine (CID 43753350) is 3-(2-ethylphenoxy)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 3-(2-ethylphenoxy)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 3-(2-ethylphenoxy)-4,4,4-trifluorobutan-1-amine is CCc1ccccc1OC(CCN)C(F)(F)F.
What is the InChIKey of 3-(2-ethylphenoxy)-4,4,4-trifluorobutan-1-amine?
The InChIKey is ABTPZQOPZCALIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-2-9-5-3-4-6-10(9)17-11(7-8-16)12(13,14)15/h3-6,11H,2,7-8,16H2,1H3.
What are the key properties of 3-(2-ethylphenoxy)-4,4,4-trifluorobutan-1-amine?
3-(2-ethylphenoxy)-4,4,4-trifluorobutan-1-amine has a molecular weight of 247.26 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenoxy)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 43753350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).