2-(3-ethyl-5-fluorophenyl)acetonitrile

C10H10FN — CID 84764635

IUPAC2-(3-ethyl-5-fluorophenyl)acetonitrile
SMILESCCc1cc(F)cc(CC#N)c1
InChIInChI=1S/C10H10FN/c1-2-8-5-9(3-4-12)7-10(11)6-8/h5-7H,2-3H2,1H3
InChIKeyAPYFPVNRRPGSOQ-UHFFFAOYSA-N
MW163.19 g/mol
LogP2.45
Rot. Bonds2

About 2-(3-ethyl-5-fluorophenyl)acetonitrile

2-(3-ethyl-5-fluorophenyl)acetonitrile (PubChem CID 84764635) has the molecular formula C10H10FN and a molecular weight of 163.19 g/mol. Its IUPAC name is 2-(3-ethyl-5-fluorophenyl)acetonitrile.

Molecular Properties

Compound Name2-(3-ethyl-5-fluorophenyl)acetonitrile
PubChem CID84764635
Molecular FormulaC10H10FN
Molecular Weight163.19 g/mol
Exact Mass163.08
IUPAC Name2-(3-ethyl-5-fluorophenyl)acetonitrile
SMILESCCc1cc(F)cc(CC#N)c1
InChIInChI=1S/C10H10FN/c1-2-8-5-9(3-4-12)7-10(11)6-8/h5-7H,2-3H2,1H3
InChIKeyAPYFPVNRRPGSOQ-UHFFFAOYSA-N
XLogP2.45
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-fluoro-5-propan-2-ylphenyl)acetonitrile
CID 84767390
1-ethyl-3,5-difluorobenzene;methanamine
CID 154650973
ethane;2-(4-ethylphenyl)acetonitrile
CID 143828452
2-(3,5-difluorophenyl)acetonitrile;1-(3,5-difluorophenyl)cyclopropane-1-carbonitrile
CID 161146367
2-(5-fluoro-3-pyridinyl)acetonitrile
CID 53403707
3-(3-ethyl-5-fluorophenyl)propan-1-ol
CID 117279245
1-(3-chloropropyl)-3-ethyl-5-fluorobenzene
CID 118824600
2-[3-(cyanomethyl)-5-methoxyphenyl]acetonitrile
CID 19746279
(3-ethyl-5-fluorophenyl)methanesulfinate
CID 174542118
1-(3-ethyl-5-fluorophenyl)-N-methoxymethanamine
CID 117279572
2-[2-(3,5-difluorophenyl)ethylamino]acetonitrile
CID 62615420
2-[[3-(cyanomethyl)-5-fluorophenyl]hydrazinylidene]propanedinitrile
CID 169341507

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-5-fluorophenyl)acetonitrile?
The IUPAC name of 2-(3-ethyl-5-fluorophenyl)acetonitrile (CID 84764635) is 2-(3-ethyl-5-fluorophenyl)acetonitrile.
What is the SMILES notation for 2-(3-ethyl-5-fluorophenyl)acetonitrile?
The canonical SMILES for 2-(3-ethyl-5-fluorophenyl)acetonitrile is CCc1cc(F)cc(CC#N)c1.
What is the InChIKey of 2-(3-ethyl-5-fluorophenyl)acetonitrile?
The InChIKey is APYFPVNRRPGSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN/c1-2-8-5-9(3-4-12)7-10(11)6-8/h5-7H,2-3H2,1H3.
What are the key properties of 2-(3-ethyl-5-fluorophenyl)acetonitrile?
2-(3-ethyl-5-fluorophenyl)acetonitrile has a molecular weight of 163.19 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-5-fluorophenyl)acetonitrile is sourced from PubChem (CID 84764635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).