1-[3-(trifluoromethyl)phenoxy]butan-2-amine

C11H14F3NO — CID 11009853

IUPAC1-[3-(trifluoromethyl)phenoxy]butan-2-amine
SMILESCCC(N)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO/c1-2-9(15)7-16-10-5-3-4-8(6-10)11(12,13)14/h3-6,9H,2,7,15H2,1H3
InChIKeyYOSIQMJRZUJCMF-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.82
Rot. Bonds4

About 1-[3-(trifluoromethyl)phenoxy]butan-2-amine

1-[3-(trifluoromethyl)phenoxy]butan-2-amine (PubChem CID 11009853) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenoxy]butan-2-amine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenoxy]butan-2-amine
PubChem CID11009853
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name1-[3-(trifluoromethyl)phenoxy]butan-2-amine
SMILESCCC(N)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO/c1-2-9(15)7-16-10-5-3-4-8(6-10)11(12,13)14/h3-6,9H,2,7,15H2,1H3
InChIKeyYOSIQMJRZUJCMF-UHFFFAOYSA-N
XLogP2.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-1-[3-(trifluoromethyl)phenoxy]butan-2-amine
CID 117236740
1-phenyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 164622114
1-(2,2-dimethylpropoxy)-3-(trifluoromethyl)benzene
CID 18721654
1-(3-propan-2-ylphenoxy)butan-2-amine
CID 62039542
2-[1-amino-2-[3-(trifluoromethyl)phenoxy]ethyl]phenol
CID 117243705
4-methyl-1-[3-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241710
1-[3-(2,2,2-trifluoroethoxy)phenyl]butan-2-amine
CID 54929405
methyl 2-bromo-3-[3-(trifluoromethyl)phenoxy]propanoate
CID 81092547
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
(E,2R)-1-[3-(trifluoromethyl)phenoxy]pent-3-en-2-ol
CID 58289073
1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene
CID 2283088
1-[3-(trifluoromethyl)phenoxy]butan-2-yl N'-(2-sulfanylethyl)carbamimidate
CID 162577003

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenoxy]butan-2-amine?
The IUPAC name of 1-[3-(trifluoromethyl)phenoxy]butan-2-amine (CID 11009853) is 1-[3-(trifluoromethyl)phenoxy]butan-2-amine.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenoxy]butan-2-amine?
The canonical SMILES for 1-[3-(trifluoromethyl)phenoxy]butan-2-amine is CCC(N)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenoxy]butan-2-amine?
The InChIKey is YOSIQMJRZUJCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-2-9(15)7-16-10-5-3-4-8(6-10)11(12,13)14/h3-6,9H,2,7,15H2,1H3.
What are the key properties of 1-[3-(trifluoromethyl)phenoxy]butan-2-amine?
1-[3-(trifluoromethyl)phenoxy]butan-2-amine has a molecular weight of 233.23 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenoxy]butan-2-amine is sourced from PubChem (CID 11009853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).