2-[2,6-difluoro-3-(methoxymethyl)phenyl]acetonitrile

C10H9F2NO — CID 117286623

IUPAC2-[2,6-difluoro-3-(methoxymethyl)phenyl]acetonitrile
SMILESCOCc1ccc(F)c(CC#N)c1F
InChIInChI=1S/C10H9F2NO/c1-14-6-7-2-3-9(11)8(4-5-13)10(7)12/h2-3H,4,6H2,1H3
InChIKeyPFFDNBYMHYSTAY-UHFFFAOYSA-N
MW197.18 g/mol
LogP2.18
Rot. Bonds3

About 2-[2,6-difluoro-3-(methoxymethyl)phenyl]acetonitrile

2-[2,6-difluoro-3-(methoxymethyl)phenyl]acetonitrile (PubChem CID 117286623) has the molecular formula C10H9F2NO and a molecular weight of 197.18 g/mol. Its IUPAC name is 2-[2,6-difluoro-3-(methoxymethyl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2,6-difluoro-3-(methoxymethyl)phenyl]acetonitrile
PubChem CID117286623
Molecular FormulaC10H9F2NO
Molecular Weight197.18 g/mol
Exact Mass197.07
IUPAC Name2-[2,6-difluoro-3-(methoxymethyl)phenyl]acetonitrile
SMILESCOCc1ccc(F)c(CC#N)c1F
InChIInChI=1S/C10H9F2NO/c1-14-6-7-2-3-9(11)8(4-5-13)10(7)12/h2-3H,4,6H2,1H3
InChIKeyPFFDNBYMHYSTAY-UHFFFAOYSA-N
XLogP2.18
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2,6-difluoro-3-(methoxymethyl)phenyl]acetonitrile?
The IUPAC name of 2-[2,6-difluoro-3-(methoxymethyl)phenyl]acetonitrile (CID 117286623) is 2-[2,6-difluoro-3-(methoxymethyl)phenyl]acetonitrile.
What is the SMILES notation for 2-[2,6-difluoro-3-(methoxymethyl)phenyl]acetonitrile?
The canonical SMILES for 2-[2,6-difluoro-3-(methoxymethyl)phenyl]acetonitrile is COCc1ccc(F)c(CC#N)c1F.
What is the InChIKey of 2-[2,6-difluoro-3-(methoxymethyl)phenyl]acetonitrile?
The InChIKey is PFFDNBYMHYSTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO/c1-14-6-7-2-3-9(11)8(4-5-13)10(7)12/h2-3H,4,6H2,1H3.
What are the key properties of 2-[2,6-difluoro-3-(methoxymethyl)phenyl]acetonitrile?
2-[2,6-difluoro-3-(methoxymethyl)phenyl]acetonitrile has a molecular weight of 197.18 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-difluoro-3-(methoxymethyl)phenyl]acetonitrile is sourced from PubChem (CID 117286623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).