3-(4-butan-2-ylphenoxy)-4,4,4-trifluorobutan-1-amine

C14H20F3NO — CID 107664050

IUPAC3-(4-butan-2-ylphenoxy)-4,4,4-trifluorobutan-1-amine
SMILESCCC(C)c1ccc(OC(CCN)C(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO/c1-3-10(2)11-4-6-12(7-5-11)19-13(8-9-18)14(15,16)17/h4-7,10,13H,3,8-9,18H2,1-2H3
InChIKeyWDIVZXQIZVDKSN-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.86
Rot. Bonds6

About 3-(4-butan-2-ylphenoxy)-4,4,4-trifluorobutan-1-amine

3-(4-butan-2-ylphenoxy)-4,4,4-trifluorobutan-1-amine (PubChem CID 107664050) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-(4-butan-2-ylphenoxy)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name3-(4-butan-2-ylphenoxy)-4,4,4-trifluorobutan-1-amine
PubChem CID107664050
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name3-(4-butan-2-ylphenoxy)-4,4,4-trifluorobutan-1-amine
SMILESCCC(C)c1ccc(OC(CCN)C(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO/c1-3-10(2)11-4-6-12(7-5-11)19-13(8-9-18)14(15,16)17/h4-7,10,13H,3,8-9,18H2,1-2H3
InChIKeyWDIVZXQIZVDKSN-UHFFFAOYSA-N
XLogP3.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluoro-3-(4-fluorophenoxy)butan-1-amine
CID 43753286
3-(3,4-difluorophenoxy)-4,4,4-trifluorobutan-1-amine
CID 43753381
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene
CID 159159765
2-(4-butan-2-ylphenoxy)-1,1-difluoropropane-1-sulfonic acid
CID 118423882
3-(6-bromonaphthalen-2-yl)oxy-4,4,4-trifluorobutan-1-amine
CID 43753369
2-(4-butan-2-ylphenoxy)propan-1-ol
CID 54018787
3-(4-amino-1,1,1-trifluorobutan-2-yl)oxy-N,N-dimethylaniline
CID 61229278
3-(1,3-benzodioxol-5-yloxy)-4,4,4-trifluorobutan-1-amine
CID 43753320
1-butan-2-yl-4-(1-phenylethoxy)benzene
CID 58079027
[4-(4-butan-2-ylphenoxy)phenyl]methanamine
CID 107663619
1-(4-butan-2-ylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207062

Frequently Asked Questions

What is the IUPAC name of 3-(4-butan-2-ylphenoxy)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 3-(4-butan-2-ylphenoxy)-4,4,4-trifluorobutan-1-amine (CID 107664050) is 3-(4-butan-2-ylphenoxy)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 3-(4-butan-2-ylphenoxy)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 3-(4-butan-2-ylphenoxy)-4,4,4-trifluorobutan-1-amine is CCC(C)c1ccc(OC(CCN)C(F)(F)F)cc1.
What is the InChIKey of 3-(4-butan-2-ylphenoxy)-4,4,4-trifluorobutan-1-amine?
The InChIKey is WDIVZXQIZVDKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-3-10(2)11-4-6-12(7-5-11)19-13(8-9-18)14(15,16)17/h4-7,10,13H,3,8-9,18H2,1-2H3.
What are the key properties of 3-(4-butan-2-ylphenoxy)-4,4,4-trifluorobutan-1-amine?
3-(4-butan-2-ylphenoxy)-4,4,4-trifluorobutan-1-amine has a molecular weight of 275.31 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butan-2-ylphenoxy)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 107664050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).