3-(4-fluorophenoxy)butanenitrile

C10H10FNO — CID 67279029

IUPAC3-(4-fluorophenoxy)butanenitrile
SMILESCC(CC#N)Oc1ccc(F)cc1
InChIInChI=1S/C10H10FNO/c1-8(6-7-12)13-10-4-2-9(11)3-5-10/h2-5,8H,6H2,1H3
InChIKeyOTUAPQDFQWWFAO-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.51
Rot. Bonds3

About 3-(4-fluorophenoxy)butanenitrile

3-(4-fluorophenoxy)butanenitrile (PubChem CID 67279029) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)butanenitrile.

Molecular Properties

Compound Name3-(4-fluorophenoxy)butanenitrile
PubChem CID67279029
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name3-(4-fluorophenoxy)butanenitrile
SMILESCC(CC#N)Oc1ccc(F)cc1
InChIInChI=1S/C10H10FNO/c1-8(6-7-12)13-10-4-2-9(11)3-5-10/h2-5,8H,6H2,1H3
InChIKeyOTUAPQDFQWWFAO-UHFFFAOYSA-N
XLogP2.51
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phenetole
CID 7674
Butyl phenyl ether
CID 14311
Allyl phenyl ether
CID 74458
Benzene, propoxy-
CID 12155
Pentyl phenyl ether
CID 16298
4-Fluorophenetole
CID 68018
2-Fluorophenetole
CID 136291
Phenoxyacetonitrile
CID 241641
4-Phenoxybutanenitrile
CID 75238
3-(4-Fluorophenoxy)propan-1-amine
CID 14025825
3-Phenoxypropiononitrile
CID 76456
(2-Methylallyloxy)benzene
CID 79893

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)butanenitrile?
The IUPAC name of 3-(4-fluorophenoxy)butanenitrile (CID 67279029) is 3-(4-fluorophenoxy)butanenitrile.
What is the SMILES notation for 3-(4-fluorophenoxy)butanenitrile?
The canonical SMILES for 3-(4-fluorophenoxy)butanenitrile is CC(CC#N)Oc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenoxy)butanenitrile?
The InChIKey is OTUAPQDFQWWFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-8(6-7-12)13-10-4-2-9(11)3-5-10/h2-5,8H,6H2,1H3.
What are the key properties of 3-(4-fluorophenoxy)butanenitrile?
3-(4-fluorophenoxy)butanenitrile has a molecular weight of 179.19 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)butanenitrile is sourced from PubChem (CID 67279029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).