2-[2-(3-fluorophenyl)phenoxy]acetonitrile

C14H10FNO — CID 91290216

IUPAC2-[2-(3-fluorophenyl)phenoxy]acetonitrile
SMILESN#CCOc1ccccc1-c1cccc(F)c1
InChIInChI=1S/C14H10FNO/c15-12-5-3-4-11(10-12)13-6-1-2-7-14(13)17-9-8-16/h1-7,10H,9H2
InChIKeyVMRXSCDCICSPHO-UHFFFAOYSA-N
MW227.24 g/mol
LogP3.40
Rot. Bonds3

About 2-[2-(3-fluorophenyl)phenoxy]acetonitrile

2-[2-(3-fluorophenyl)phenoxy]acetonitrile (PubChem CID 91290216) has the molecular formula C14H10FNO and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)phenoxy]acetonitrile
PubChem CID91290216
Molecular FormulaC14H10FNO
Molecular Weight227.24 g/mol
Exact Mass227.07
IUPAC Name2-[2-(3-fluorophenyl)phenoxy]acetonitrile
SMILESN#CCOc1ccccc1-c1cccc(F)c1
InChIInChI=1S/C14H10FNO/c15-12-5-3-4-11(10-12)13-6-1-2-7-14(13)17-9-8-16/h1-7,10H,9H2
InChIKeyVMRXSCDCICSPHO-UHFFFAOYSA-N
XLogP3.40
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 46313769
1-fluoro-3-(2-phenoxyphenyl)benzene
CID 56979029
1-fluoro-3-[3-(2-methoxyphenyl)phenyl]benzene
CID 175734991
2-(2-chloro-5-fluorophenoxy)acetonitrile
CID 91656530
N-[2-(cyanomethoxy)phenyl]-3-fluorobenzamide
CID 43369387
2-[4-fluoro-2-(hydroxymethyl)phenoxy]acetonitrile
CID 107698327
2-[2-(cyanomethoxy)phenyl]acetonitrile
CID 55267337
2-naphthalen-1-yloxyacetonitrile
CID 4123375
2-[2-(3-fluorophenyl)-3-pyridinyl]acetonitrile
CID 117001885
2-(4-fluoro-2-propan-2-ylphenoxy)acetonitrile
CID 129178506
2-(5-fluoro-2-phenylphenyl)acetonitrile
CID 46314808
4-(2-phenylphenoxy)butanenitrile
CID 14751947

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)phenoxy]acetonitrile?
The IUPAC name of 2-[2-(3-fluorophenyl)phenoxy]acetonitrile (CID 91290216) is 2-[2-(3-fluorophenyl)phenoxy]acetonitrile.
What is the SMILES notation for 2-[2-(3-fluorophenyl)phenoxy]acetonitrile?
The canonical SMILES for 2-[2-(3-fluorophenyl)phenoxy]acetonitrile is N#CCOc1ccccc1-c1cccc(F)c1.
What is the InChIKey of 2-[2-(3-fluorophenyl)phenoxy]acetonitrile?
The InChIKey is VMRXSCDCICSPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO/c15-12-5-3-4-11(10-12)13-6-1-2-7-14(13)17-9-8-16/h1-7,10H,9H2.
What are the key properties of 2-[2-(3-fluorophenyl)phenoxy]acetonitrile?
2-[2-(3-fluorophenyl)phenoxy]acetonitrile has a molecular weight of 227.24 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)phenoxy]acetonitrile is sourced from PubChem (CID 91290216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).