2-(2-chloro-5-fluorophenoxy)acetonitrile

C8H5ClFNO — CID 91656530

IUPAC2-(2-chloro-5-fluorophenoxy)acetonitrile
SMILESN#CCOc1cc(F)ccc1Cl
InChIInChI=1S/C8H5ClFNO/c9-7-2-1-6(10)5-8(7)12-4-3-11/h1-2,5H,4H2
InChIKeyONKTVPVNFUQVNU-UHFFFAOYSA-N
MW185.58 g/mol
LogP2.38
Rot. Bonds2

About 2-(2-chloro-5-fluorophenoxy)acetonitrile

2-(2-chloro-5-fluorophenoxy)acetonitrile (PubChem CID 91656530) has the molecular formula C8H5ClFNO and a molecular weight of 185.58 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenoxy)acetonitrile.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenoxy)acetonitrile
PubChem CID91656530
Molecular FormulaC8H5ClFNO
Molecular Weight185.58 g/mol
Exact Mass185.00
IUPAC Name2-(2-chloro-5-fluorophenoxy)acetonitrile
SMILESN#CCOc1cc(F)ccc1Cl
InChIInChI=1S/C8H5ClFNO/c9-7-2-1-6(10)5-8(7)12-4-3-11/h1-2,5H,4H2
InChIKeyONKTVPVNFUQVNU-UHFFFAOYSA-N
XLogP2.38
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.58
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-chloro-5-fluorophenoxy)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-4-fluoro-2-prop-2-ynoxybenzene
CID 22482803
2-(2,5-dichlorophenoxy)acetonitrile
CID 3361196
1-chloro-2-ethoxy-4-fluorobenzene
CID 2773702
2-(4-fluoro-2-propan-2-ylphenoxy)acetonitrile
CID 129178506
1-chloro-2-(2,2-difluoroethoxy)-4-fluorobenzene
CID 130501614
2-[4-fluoro-2-(hydroxymethyl)phenoxy]acetonitrile
CID 107698327
1-chloro-4-fluoro-2-phenylmethoxybenzene
CID 91656120
2-[2-(3-fluorophenyl)phenoxy]acetonitrile
CID 91290216
1-chloro-4-fluoro-2-octoxybenzene
CID 114264358
(2-chloro-5-fluorophenyl) hypoiodite
CID 145463596
2-(2-chloro-5-fluorophenoxy)-N-methylethanamine;hydrochloride
CID 146675459
CID 69055429
CID 69055429

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenoxy)acetonitrile?
The IUPAC name of 2-(2-chloro-5-fluorophenoxy)acetonitrile (CID 91656530) is 2-(2-chloro-5-fluorophenoxy)acetonitrile.
What is the SMILES notation for 2-(2-chloro-5-fluorophenoxy)acetonitrile?
The canonical SMILES for 2-(2-chloro-5-fluorophenoxy)acetonitrile is N#CCOc1cc(F)ccc1Cl.
What is the InChIKey of 2-(2-chloro-5-fluorophenoxy)acetonitrile?
The InChIKey is ONKTVPVNFUQVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFNO/c9-7-2-1-6(10)5-8(7)12-4-3-11/h1-2,5H,4H2.
What are the key properties of 2-(2-chloro-5-fluorophenoxy)acetonitrile?
2-(2-chloro-5-fluorophenoxy)acetonitrile has a molecular weight of 185.58 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenoxy)acetonitrile is sourced from PubChem (CID 91656530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).