2-[(2,4-dichlorophenoxy)methyl]-3,3,3-trifluoropropanenitrile

C10H6Cl2F3NO — CID 103368257

IUPAC2-[(2,4-dichlorophenoxy)methyl]-3,3,3-trifluoropropanenitrile
SMILESN#CC(COc1ccc(Cl)cc1Cl)C(F)(F)F
InChIInChI=1S/C10H6Cl2F3NO/c11-7-1-2-9(8(12)3-7)17-5-6(4-16)10(13,14)15/h1-3,6H,5H2
InChIKeyNVWPDEXBFPNHCP-UHFFFAOYSA-N
MW284.06 g/mol
LogP4.07
Rot. Bonds3

About 2-[(2,4-dichlorophenoxy)methyl]-3,3,3-trifluoropropanenitrile

2-[(2,4-dichlorophenoxy)methyl]-3,3,3-trifluoropropanenitrile (PubChem CID 103368257) has the molecular formula C10H6Cl2F3NO and a molecular weight of 284.06 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenoxy)methyl]-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name2-[(2,4-dichlorophenoxy)methyl]-3,3,3-trifluoropropanenitrile
PubChem CID103368257
Molecular FormulaC10H6Cl2F3NO
Molecular Weight284.06 g/mol
Exact Mass282.98
IUPAC Name2-[(2,4-dichlorophenoxy)methyl]-3,3,3-trifluoropropanenitrile
SMILESN#CC(COc1ccc(Cl)cc1Cl)C(F)(F)F
InChIInChI=1S/C10H6Cl2F3NO/c11-7-1-2-9(8(12)3-7)17-5-6(4-16)10(13,14)15/h1-3,6H,5H2
InChIKeyNVWPDEXBFPNHCP-UHFFFAOYSA-N
XLogP4.07
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.06
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromo-4-chlorophenoxy)methyl]-3,3,3-trifluoropropanenitrile
CID 103368266
2-[(2-chlorophenoxy)methyl]-3,3,3-trifluoropropanenitrile
CID 103368247
2,4-dichloro-1-(2,2-difluoroethoxy)benzene
CID 57262164
2-[(4-amino-2-methylphenoxy)methyl]-3,3,3-trifluoropropanenitrile
CID 103371827
2-[(2,4-dichloroanilino)methyl]-3,3,3-trifluoropropanenitrile
CID 103366905
3,3,3-trifluoro-2-[(4-fluoro-2-nitrophenoxy)methyl]propanenitrile
CID 103368387
3-(2,4-dichlorophenoxy)-2,2-dimethylpropanenitrile
CID 82085345
2-[(2,5-dichloroanilino)methyl]-3,3,3-trifluoropropanenitrile
CID 103366885
3,3,3-trifluoro-2-[(4-methyl-2-nitrophenoxy)methyl]propanenitrile
CID 103368368
5-chloro-2-[2-(2,4-dichlorophenoxy)ethoxy]benzonitrile
CID 22682686
3,3,3-trifluoro-2-[[4-(trifluoromethyl)phenoxy]methyl]propanenitrile
CID 103368324
3,3,3-trifluoro-2-[(4-methoxy-2-nitrophenoxy)methyl]propanenitrile
CID 103368358

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenoxy)methyl]-3,3,3-trifluoropropanenitrile?
The IUPAC name of 2-[(2,4-dichlorophenoxy)methyl]-3,3,3-trifluoropropanenitrile (CID 103368257) is 2-[(2,4-dichlorophenoxy)methyl]-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for 2-[(2,4-dichlorophenoxy)methyl]-3,3,3-trifluoropropanenitrile?
The canonical SMILES for 2-[(2,4-dichlorophenoxy)methyl]-3,3,3-trifluoropropanenitrile is N#CC(COc1ccc(Cl)cc1Cl)C(F)(F)F.
What is the InChIKey of 2-[(2,4-dichlorophenoxy)methyl]-3,3,3-trifluoropropanenitrile?
The InChIKey is NVWPDEXBFPNHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2F3NO/c11-7-1-2-9(8(12)3-7)17-5-6(4-16)10(13,14)15/h1-3,6H,5H2.
What are the key properties of 2-[(2,4-dichlorophenoxy)methyl]-3,3,3-trifluoropropanenitrile?
2-[(2,4-dichlorophenoxy)methyl]-3,3,3-trifluoropropanenitrile has a molecular weight of 284.06 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenoxy)methyl]-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 103368257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).