2-[3-[(4-fluorophenyl)methoxy]phenyl]acetonitrile

C15H12FNO — CID 170886344

IUPAC2-[3-[(4-fluorophenyl)methoxy]phenyl]acetonitrile
SMILESN#CCc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C15H12FNO/c16-14-6-4-13(5-7-14)11-18-15-3-1-2-12(10-15)8-9-17/h1-7,10H,8,11H2
InChIKeyFEQCUIBCCQRVCZ-UHFFFAOYSA-N
MW241.26 g/mol
LogP3.47
Rot. Bonds4

About 2-[3-[(4-fluorophenyl)methoxy]phenyl]acetonitrile

2-[3-[(4-fluorophenyl)methoxy]phenyl]acetonitrile (PubChem CID 170886344) has the molecular formula C15H12FNO and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methoxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methoxy]phenyl]acetonitrile
PubChem CID170886344
Molecular FormulaC15H12FNO
Molecular Weight241.26 g/mol
Exact Mass241.09
IUPAC Name2-[3-[(4-fluorophenyl)methoxy]phenyl]acetonitrile
SMILESN#CCc1cccc(OCc2ccc(F)cc2)c1
InChIInChI=1S/C15H12FNO/c16-14-6-4-13(5-7-14)11-18-15-3-1-2-12(10-15)8-9-17/h1-7,10H,8,11H2
InChIKeyFEQCUIBCCQRVCZ-UHFFFAOYSA-N
XLogP3.47
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
2-[3-methoxy-4-[2-(3-phenylmethoxyphenyl)ethoxy]phenyl]acetonitrile
CID 142620478
1-fluoro-4-[(3-methoxyphenoxy)methyl]benzene
CID 59165653
trifluoro-[3-[(4-fluorophenyl)methoxy]phenyl]boranuide
CID 63678095
2-[3-(2-chloroethoxy)phenyl]acetonitrile
CID 171785763
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
2-[3-(2-naphthalen-2-ylethoxy)phenyl]acetonitrile
CID 141063911
1-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 90934735
3-[(4-fluorophenyl)methoxy]benzamide
CID 18354605
3-[(4-fluorophenyl)methoxy]benzenecarbothioamide
CID 22686177
2-[3-(difluoromethoxy)phenyl]acetonitrile
CID 2737017
2-[3-(trifluoromethoxy)phenyl]acetonitrile
CID 517906

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methoxy]phenyl]acetonitrile?
The IUPAC name of 2-[3-[(4-fluorophenyl)methoxy]phenyl]acetonitrile (CID 170886344) is 2-[3-[(4-fluorophenyl)methoxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methoxy]phenyl]acetonitrile?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methoxy]phenyl]acetonitrile is N#CCc1cccc(OCc2ccc(F)cc2)c1.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methoxy]phenyl]acetonitrile?
The InChIKey is FEQCUIBCCQRVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO/c16-14-6-4-13(5-7-14)11-18-15-3-1-2-12(10-15)8-9-17/h1-7,10H,8,11H2.
What are the key properties of 2-[3-[(4-fluorophenyl)methoxy]phenyl]acetonitrile?
2-[3-[(4-fluorophenyl)methoxy]phenyl]acetonitrile has a molecular weight of 241.26 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methoxy]phenyl]acetonitrile is sourced from PubChem (CID 170886344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).