1,1,1-trifluoro-5-phenoxypentan-3-amine

C11H14F3NO — CID 115002824

IUPAC1,1,1-trifluoro-5-phenoxypentan-3-amine
SMILESNC(CCOc1ccccc1)CC(F)(F)F
InChIInChI=1S/C11H14F3NO/c12-11(13,14)8-9(15)6-7-16-10-4-2-1-3-5-10/h1-5,9H,6-8,15H2
InChIKeyFZKPWPYMOYRWMK-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.74
Rot. Bonds5

About 1,1,1-trifluoro-5-phenoxypentan-3-amine

1,1,1-trifluoro-5-phenoxypentan-3-amine (PubChem CID 115002824) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-phenoxypentan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-5-phenoxypentan-3-amine
PubChem CID115002824
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name1,1,1-trifluoro-5-phenoxypentan-3-amine
SMILESNC(CCOc1ccccc1)CC(F)(F)F
InChIInChI=1S/C11H14F3NO/c12-11(13,14)8-9(15)6-7-16-10-4-2-1-3-5-10/h1-5,9H,6-8,15H2
InChIKeyFZKPWPYMOYRWMK-UHFFFAOYSA-N
XLogP2.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-phenoxybutane-1,2-diamine
CID 131851229
4-(3-amino-6-phenoxyhexoxy)aniline
CID 20534953
1-(3,5-difluorophenyl)-4-phenoxybutan-2-amine
CID 115601755
1-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 54001811
5-methyl-1-phenoxyoctan-3-amine
CID 55095717
1,5-diphenoxypentan-3-ol
CID 5314309
6-methylsulfonyl-1-phenoxyhexan-3-amine
CID 63192307
5-phenoxy-1-phenylpentan-2-amine
CID 62935761
(2R)-2-amino-7-phenoxyheptane-1-thiol
CID 87875923
1-(5-bromothiophen-2-yl)-4-phenoxybutan-2-amine
CID 62606413
benzyl 2-amino-4-phenoxybutanoate
CID 174617727
4-(2,2,2-trifluoroethoxy)butoxybenzene
CID 23282430

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5-phenoxypentan-3-amine?
The IUPAC name of 1,1,1-trifluoro-5-phenoxypentan-3-amine (CID 115002824) is 1,1,1-trifluoro-5-phenoxypentan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-5-phenoxypentan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-5-phenoxypentan-3-amine is NC(CCOc1ccccc1)CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-5-phenoxypentan-3-amine?
The InChIKey is FZKPWPYMOYRWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c12-11(13,14)8-9(15)6-7-16-10-4-2-1-3-5-10/h1-5,9H,6-8,15H2.
What are the key properties of 1,1,1-trifluoro-5-phenoxypentan-3-amine?
1,1,1-trifluoro-5-phenoxypentan-3-amine has a molecular weight of 233.23 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-phenoxypentan-3-amine is sourced from PubChem (CID 115002824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).