2-(4-fluoro-2-propan-2-ylphenoxy)acetonitrile

C11H12FNO — CID 129178506

IUPAC2-(4-fluoro-2-propan-2-ylphenoxy)acetonitrile
SMILESCC(C)c1cc(F)ccc1OCC#N
InChIInChI=1S/C11H12FNO/c1-8(2)10-7-9(12)3-4-11(10)14-6-5-13/h3-4,7-8H,6H2,1-2H3
InChIKeySZTTYYYLWJNGQF-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.85
Rot. Bonds3

About 2-(4-fluoro-2-propan-2-ylphenoxy)acetonitrile

2-(4-fluoro-2-propan-2-ylphenoxy)acetonitrile (PubChem CID 129178506) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-(4-fluoro-2-propan-2-ylphenoxy)acetonitrile.

Molecular Properties

Compound Name2-(4-fluoro-2-propan-2-ylphenoxy)acetonitrile
PubChem CID129178506
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name2-(4-fluoro-2-propan-2-ylphenoxy)acetonitrile
SMILESCC(C)c1cc(F)ccc1OCC#N
InChIInChI=1S/C11H12FNO/c1-8(2)10-7-9(12)3-4-11(10)14-6-5-13/h3-4,7-8H,6H2,1-2H3
InChIKeySZTTYYYLWJNGQF-UHFFFAOYSA-N
XLogP2.85
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-5-fluorophenoxy)acetonitrile
CID 91656530
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
2-[4-fluoro-2-(hydroxymethyl)phenoxy]acetonitrile
CID 107698327
2-[4-chloro-2-[1-(ethylamino)ethyl]phenoxy]acetonitrile
CID 62073205
2-bromo-1-[(4-bromo-2-propan-2-ylphenoxy)methyl]-4-fluorobenzene
CID 115402119
2-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]acetonitrile
CID 60889997
CID 88901759
CID 88901759
2-methyl-5-(4-methyl-2-propan-2-ylphenoxy)pyrimidin-4-amine;2-(4-methyl-2-propan-2-ylphenoxy)acetonitrile
CID 159163664
2-(1,3-dimethyl-6-propan-2-ylindol-5-yl)oxyacetonitrile
CID 157432602
(2S)-2-(2-ethoxy-5-fluorophenyl)-2-trimethylsilyloxyacetonitrile
CID 125466839
2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]acetonitrile
CID 60887297
2-[(1-methyl-2-oxo-5-propan-2-yl-4-pyridinyl)oxy]acetonitrile
CID 146972618

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-propan-2-ylphenoxy)acetonitrile?
The IUPAC name of 2-(4-fluoro-2-propan-2-ylphenoxy)acetonitrile (CID 129178506) is 2-(4-fluoro-2-propan-2-ylphenoxy)acetonitrile.
What is the SMILES notation for 2-(4-fluoro-2-propan-2-ylphenoxy)acetonitrile?
The canonical SMILES for 2-(4-fluoro-2-propan-2-ylphenoxy)acetonitrile is CC(C)c1cc(F)ccc1OCC#N.
What is the InChIKey of 2-(4-fluoro-2-propan-2-ylphenoxy)acetonitrile?
The InChIKey is SZTTYYYLWJNGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-8(2)10-7-9(12)3-4-11(10)14-6-5-13/h3-4,7-8H,6H2,1-2H3.
What are the key properties of 2-(4-fluoro-2-propan-2-ylphenoxy)acetonitrile?
2-(4-fluoro-2-propan-2-ylphenoxy)acetonitrile has a molecular weight of 193.22 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-propan-2-ylphenoxy)acetonitrile is sourced from PubChem (CID 129178506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).