2-[5-(2-chloro-3-fluorophenyl)-2-methoxyphenyl]acetonitrile

C15H11ClFNO — CID 175670261

IUPAC2-[5-(2-chloro-3-fluorophenyl)-2-methoxyphenyl]acetonitrile
SMILESCOc1ccc(-c2cccc(F)c2Cl)cc1CC#N
InChIInChI=1S/C15H11ClFNO/c1-19-14-6-5-10(9-11(14)7-8-18)12-3-2-4-13(17)15(12)16/h2-6,9H,7H2,1H3
InChIKeyAKSOJUZCEDTCQQ-UHFFFAOYSA-N
MW275.71 g/mol
LogP4.22
Rot. Bonds3

About 2-[5-(2-chloro-3-fluorophenyl)-2-methoxyphenyl]acetonitrile

2-[5-(2-chloro-3-fluorophenyl)-2-methoxyphenyl]acetonitrile (PubChem CID 175670261) has the molecular formula C15H11ClFNO and a molecular weight of 275.71 g/mol. Its IUPAC name is 2-[5-(2-chloro-3-fluorophenyl)-2-methoxyphenyl]acetonitrile.

Molecular Properties

Compound Name2-[5-(2-chloro-3-fluorophenyl)-2-methoxyphenyl]acetonitrile
PubChem CID175670261
Molecular FormulaC15H11ClFNO
Molecular Weight275.71 g/mol
Exact Mass275.05
IUPAC Name2-[5-(2-chloro-3-fluorophenyl)-2-methoxyphenyl]acetonitrile
SMILESCOc1ccc(-c2cccc(F)c2Cl)cc1CC#N
InChIInChI=1S/C15H11ClFNO/c1-19-14-6-5-10(9-11(14)7-8-18)12-3-2-4-13(17)15(12)16/h2-6,9H,7H2,1H3
InChIKeyAKSOJUZCEDTCQQ-UHFFFAOYSA-N
XLogP4.22
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(3-chloro-2-fluorophenyl)-2-methoxyphenyl]acetonitrile
CID 175670273
2-[5-(2-chloro-4-fluorophenyl)-2-methoxyphenyl]acetonitrile
CID 175670265
2-[4-(2,3-difluorophenyl)-2-methoxyphenyl]acetonitrile
CID 175670200
[5-(2-fluorophenyl)-2-methoxyphenyl]methanamine;hydrochloride
CID 171037272
2-[2-methoxy-5-(3-propan-2-ylphenyl)phenyl]acetonitrile
CID 175670294
2-(4-chloro-5-fluoro-2-methoxyphenyl)acetonitrile
CID 171007005
2-(2-chloro-3-fluoro-6-methoxyphenyl)acetonitrile
CID 130889587
2-fluoro-4-(2-fluorophenyl)-1-methoxybenzene
CID 46312218
2-(4-bromo-5-fluoro-2-methoxyphenyl)acetonitrile
CID 84802364
2-(3-fluoro-2-methoxyphenyl)acetonitrile
CID 46737695
N-[[5-(2,3-difluorophenyl)-2-methoxyphenyl]methyl]propan-1-amine
CID 63989406
2-(5-bromo-2-fluoro-4-methoxyphenyl)acetonitrile
CID 84802361

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-chloro-3-fluorophenyl)-2-methoxyphenyl]acetonitrile?
The IUPAC name of 2-[5-(2-chloro-3-fluorophenyl)-2-methoxyphenyl]acetonitrile (CID 175670261) is 2-[5-(2-chloro-3-fluorophenyl)-2-methoxyphenyl]acetonitrile.
What is the SMILES notation for 2-[5-(2-chloro-3-fluorophenyl)-2-methoxyphenyl]acetonitrile?
The canonical SMILES for 2-[5-(2-chloro-3-fluorophenyl)-2-methoxyphenyl]acetonitrile is COc1ccc(-c2cccc(F)c2Cl)cc1CC#N.
What is the InChIKey of 2-[5-(2-chloro-3-fluorophenyl)-2-methoxyphenyl]acetonitrile?
The InChIKey is AKSOJUZCEDTCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO/c1-19-14-6-5-10(9-11(14)7-8-18)12-3-2-4-13(17)15(12)16/h2-6,9H,7H2,1H3.
What are the key properties of 2-[5-(2-chloro-3-fluorophenyl)-2-methoxyphenyl]acetonitrile?
2-[5-(2-chloro-3-fluorophenyl)-2-methoxyphenyl]acetonitrile has a molecular weight of 275.71 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chloro-3-fluorophenyl)-2-methoxyphenyl]acetonitrile is sourced from PubChem (CID 175670261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).