2-[3-(1-fluoroethyl)phenyl]acetonitrile

C10H10FN — CID 84764629

IUPAC2-[3-(1-fluoroethyl)phenyl]acetonitrile
SMILESCC(F)c1cccc(CC#N)c1
InChIInChI=1S/C10H10FN/c1-8(11)10-4-2-3-9(7-10)5-6-12/h2-4,7-8H,5H2,1H3
InChIKeyJHTKYWZHHUSBIG-UHFFFAOYSA-N
MW163.19 g/mol
LogP2.78
Rot. Bonds2

About 2-[3-(1-fluoroethyl)phenyl]acetonitrile

2-[3-(1-fluoroethyl)phenyl]acetonitrile (PubChem CID 84764629) has the molecular formula C10H10FN and a molecular weight of 163.19 g/mol. Its IUPAC name is 2-[3-(1-fluoroethyl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[3-(1-fluoroethyl)phenyl]acetonitrile
PubChem CID84764629
Molecular FormulaC10H10FN
Molecular Weight163.19 g/mol
Exact Mass163.08
IUPAC Name2-[3-(1-fluoroethyl)phenyl]acetonitrile
SMILESCC(F)c1cccc(CC#N)c1
InChIInChI=1S/C10H10FN/c1-8(11)10-4-2-3-9(7-10)5-6-12/h2-4,7-8H,5H2,1H3
InChIKeyJHTKYWZHHUSBIG-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-[(1R)-1-amino-2-methylpropyl]phenyl]acetonitrile
CID 55275678
2-[3-[(1S)-1-(methylamino)ethyl]phenyl]acetonitrile
CID 130742207
2-[3-(2-fluoropropylsulfanyl)phenyl]acetonitrile
CID 84677109
3-amino-3-[3-(cyanomethyl)phenyl]propanenitrile
CID 55272972
2-[3-(difluoromethoxy)phenyl]acetonitrile
CID 2737017
1-[3-(1-fluoroethyl)phenyl]propan-2-one
CID 84657401
2-amino-2-[3-(cyanomethyl)phenyl]acetic acid
CID 55272287
2-(3-iodophenyl)acetonitrile
CID 2759368
2-[3-[[benzyl(propan-2-yl)amino]methyl]phenyl]acetonitrile
CID 82135626
2-[3-(3-fluoropropylsulfanyl)phenyl]acetonitrile
CID 84677111
2-[3-(dimethylamino)phenyl]acetonitrile
CID 53403559
2-(3-trimethylsilylphenyl)acetonitrile
CID 18547281

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-fluoroethyl)phenyl]acetonitrile?
The IUPAC name of 2-[3-(1-fluoroethyl)phenyl]acetonitrile (CID 84764629) is 2-[3-(1-fluoroethyl)phenyl]acetonitrile.
What is the SMILES notation for 2-[3-(1-fluoroethyl)phenyl]acetonitrile?
The canonical SMILES for 2-[3-(1-fluoroethyl)phenyl]acetonitrile is CC(F)c1cccc(CC#N)c1.
What is the InChIKey of 2-[3-(1-fluoroethyl)phenyl]acetonitrile?
The InChIKey is JHTKYWZHHUSBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN/c1-8(11)10-4-2-3-9(7-10)5-6-12/h2-4,7-8H,5H2,1H3.
What are the key properties of 2-[3-(1-fluoroethyl)phenyl]acetonitrile?
2-[3-(1-fluoroethyl)phenyl]acetonitrile has a molecular weight of 163.19 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-fluoroethyl)phenyl]acetonitrile is sourced from PubChem (CID 84764629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).