2-(4-ethoxy-2-fluorophenyl)acetonitrile

C10H10FNO — CID 84767796

IUPAC2-(4-ethoxy-2-fluorophenyl)acetonitrile
SMILESCCOc1ccc(CC#N)c(F)c1
InChIInChI=1S/C10H10FNO/c1-2-13-9-4-3-8(5-6-12)10(11)7-9/h3-4,7H,2,5H2,1H3
InChIKeyNZNZJJSBMQCFEG-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.29
Rot. Bonds3

About 2-(4-ethoxy-2-fluorophenyl)acetonitrile

2-(4-ethoxy-2-fluorophenyl)acetonitrile (PubChem CID 84767796) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 2-(4-ethoxy-2-fluorophenyl)acetonitrile.

Molecular Properties

Compound Name2-(4-ethoxy-2-fluorophenyl)acetonitrile
PubChem CID84767796
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name2-(4-ethoxy-2-fluorophenyl)acetonitrile
SMILESCCOc1ccc(CC#N)c(F)c1
InChIInChI=1S/C10H10FNO/c1-2-13-9-4-3-8(5-6-12)10(11)7-9/h3-4,7H,2,5H2,1H3
InChIKeyNZNZJJSBMQCFEG-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxy-2-fluorophenyl)-N-methylmethanamine
CID 84659103
2-(4-ethoxy-2,6-difluorophenyl)acetonitrile
CID 46737617
2-[4-ethoxy-2-(trifluoromethoxy)phenyl]acetonitrile
CID 170997989
2-(4-ethoxy-2-fluorophenyl)ethanol
CID 117279842
3-(4-ethoxy-2-fluorophenyl)propanal
CID 117286118
1-(4-ethoxy-2-fluorophenyl)propan-2-amine
CID 55254145
4-(4-ethoxy-2-fluorophenyl)but-3-enenitrile
CID 170799973
4-ethoxy-2-fluoro-N-methylaniline
CID 68515674
2-[2-amino-5-(3-ethoxyphenoxy)phenyl]acetonitrile
CID 102624933
2-[2-(cyanomethyl)-4,5-diethoxyphenyl]acetonitrile
CID 102359044
1-[(4-ethoxy-2-fluorophenyl)methyl]-2-phenylhydrazine
CID 169385540
4-(4-ethoxy-2-ethylphenyl)butanenitrile
CID 83941707

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2-fluorophenyl)acetonitrile?
The IUPAC name of 2-(4-ethoxy-2-fluorophenyl)acetonitrile (CID 84767796) is 2-(4-ethoxy-2-fluorophenyl)acetonitrile.
What is the SMILES notation for 2-(4-ethoxy-2-fluorophenyl)acetonitrile?
The canonical SMILES for 2-(4-ethoxy-2-fluorophenyl)acetonitrile is CCOc1ccc(CC#N)c(F)c1.
What is the InChIKey of 2-(4-ethoxy-2-fluorophenyl)acetonitrile?
The InChIKey is NZNZJJSBMQCFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-2-13-9-4-3-8(5-6-12)10(11)7-9/h3-4,7H,2,5H2,1H3.
What are the key properties of 2-(4-ethoxy-2-fluorophenyl)acetonitrile?
2-(4-ethoxy-2-fluorophenyl)acetonitrile has a molecular weight of 179.19 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2-fluorophenyl)acetonitrile is sourced from PubChem (CID 84767796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).