2-[3-(trifluoromethyl)phenoxy]butanenitrile

C11H10F3NO — CID 55207608

IUPAC2-[3-(trifluoromethyl)phenoxy]butanenitrile
SMILESCCC(C#N)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3NO/c1-2-9(7-15)16-10-5-3-4-8(6-10)11(12,13)14/h3-6,9H,2H2,1H3
InChIKeyZAQWLNPFIIGGIF-UHFFFAOYSA-N
MW229.20 g/mol
LogP3.39
Rot. Bonds3

About 2-[3-(trifluoromethyl)phenoxy]butanenitrile

2-[3-(trifluoromethyl)phenoxy]butanenitrile (PubChem CID 55207608) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenoxy]butanenitrile.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenoxy]butanenitrile
PubChem CID55207608
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name2-[3-(trifluoromethyl)phenoxy]butanenitrile
SMILESCCC(C#N)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3NO/c1-2-9(7-15)16-10-5-3-4-8(6-10)11(12,13)14/h3-6,9H,2H2,1H3
InChIKeyZAQWLNPFIIGGIF-UHFFFAOYSA-N
XLogP3.39
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-pentan-2-yloxy-3-(trifluoromethyl)benzene
CID 54046925
N-methyl-2-[3-(trifluoromethyl)phenoxy]butan-1-amine
CID 62456852
1-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 13405100
2-[3-(trifluoromethyl)phenoxy]pentan-3-one
CID 64868237
N-[2-[3-(trifluoromethyl)phenoxy]propyl]butan-2-amine
CID 62597829
N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenoxy]butan-1-amine
CID 62457234
(3S)-3-[(1S)-1-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine
CID 66890766
1-[3-(trifluoromethyl)phenoxy]butan-2-amine
CID 11009853
N-[[3-[(1R)-1-cyanopropoxy]phenyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862059
(3R)-3-[3-(trifluoromethyl)phenoxy]butan-2-one
CID 6934258
N-propan-2-yl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine
CID 62456493
2-(3,5-dimethoxyphenoxy)butanenitrile
CID 55207727

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenoxy]butanenitrile?
The IUPAC name of 2-[3-(trifluoromethyl)phenoxy]butanenitrile (CID 55207608) is 2-[3-(trifluoromethyl)phenoxy]butanenitrile.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenoxy]butanenitrile?
The canonical SMILES for 2-[3-(trifluoromethyl)phenoxy]butanenitrile is CCC(C#N)Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenoxy]butanenitrile?
The InChIKey is ZAQWLNPFIIGGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-2-9(7-15)16-10-5-3-4-8(6-10)11(12,13)14/h3-6,9H,2H2,1H3.
What are the key properties of 2-[3-(trifluoromethyl)phenoxy]butanenitrile?
2-[3-(trifluoromethyl)phenoxy]butanenitrile has a molecular weight of 229.20 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenoxy]butanenitrile is sourced from PubChem (CID 55207608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).