2-[(2,5-dichloroanilino)methyl]-3,3,3-trifluoropropanenitrile

C10H7Cl2F3N2 — CID 103366885

IUPAC2-[(2,5-dichloroanilino)methyl]-3,3,3-trifluoropropanenitrile
SMILESN#CC(CNc1cc(Cl)ccc1Cl)C(F)(F)F
InChIInChI=1S/C10H7Cl2F3N2/c11-7-1-2-8(12)9(3-7)17-5-6(4-16)10(13,14)15/h1-3,6,17H,5H2
InChIKeyRLFZZTCTNVKDSQ-UHFFFAOYSA-N
MW283.08 g/mol
LogP4.11
Rot. Bonds3

About 2-[(2,5-dichloroanilino)methyl]-3,3,3-trifluoropropanenitrile

2-[(2,5-dichloroanilino)methyl]-3,3,3-trifluoropropanenitrile (PubChem CID 103366885) has the molecular formula C10H7Cl2F3N2 and a molecular weight of 283.08 g/mol. Its IUPAC name is 2-[(2,5-dichloroanilino)methyl]-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name2-[(2,5-dichloroanilino)methyl]-3,3,3-trifluoropropanenitrile
PubChem CID103366885
Molecular FormulaC10H7Cl2F3N2
Molecular Weight283.08 g/mol
Exact Mass281.99
IUPAC Name2-[(2,5-dichloroanilino)methyl]-3,3,3-trifluoropropanenitrile
SMILESN#CC(CNc1cc(Cl)ccc1Cl)C(F)(F)F
InChIInChI=1S/C10H7Cl2F3N2/c11-7-1-2-8(12)9(3-7)17-5-6(4-16)10(13,14)15/h1-3,6,17H,5H2
InChIKeyRLFZZTCTNVKDSQ-UHFFFAOYSA-N
XLogP4.11
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.08
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2,5-dichloroanilino)methyl]-3,3,3-trifluoropropanenitrile 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

2-[(2,4-dichloroanilino)methyl]-3,3,3-trifluoropropanenitrile
CID 103366905
2-[(2,6-dichloro-4-fluoroanilino)methyl]-3,3,3-trifluoropropanenitrile
CID 103367490
3,3,3-trifluoro-2-[(2-phenylanilino)methyl]propanenitrile
CID 103366890
2-[(2,4-dichlorophenoxy)methyl]-3,3,3-trifluoropropanenitrile
CID 103368257
2-[(4-bromo-2,6-difluoroanilino)methyl]-3,3,3-trifluoropropanenitrile
CID 103367352
2-[(2-bromo-4-chlorophenoxy)methyl]-3,3,3-trifluoropropanenitrile
CID 103368266
3,3,3-trifluoro-2-[(3-iodo-2-methylanilino)methyl]propanenitrile
CID 114257344
4-[(2,5-dichloroanilino)methyl]-3,5-difluorobenzonitrile
CID 107037451
4-chloro-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]phenol
CID 126847001
4-chloro-3-[(4-chloro-2-fluorophenyl)methylamino]benzonitrile
CID 114842499
4-chloro-2-(2,5-dichloroanilino)benzonitrile
CID 55194781
2,5-dichloro-N-(3,3-dimethylbutyl)aniline
CID 63418303

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichloroanilino)methyl]-3,3,3-trifluoropropanenitrile?
The IUPAC name of 2-[(2,5-dichloroanilino)methyl]-3,3,3-trifluoropropanenitrile (CID 103366885) is 2-[(2,5-dichloroanilino)methyl]-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for 2-[(2,5-dichloroanilino)methyl]-3,3,3-trifluoropropanenitrile?
The canonical SMILES for 2-[(2,5-dichloroanilino)methyl]-3,3,3-trifluoropropanenitrile is N#CC(CNc1cc(Cl)ccc1Cl)C(F)(F)F.
What is the InChIKey of 2-[(2,5-dichloroanilino)methyl]-3,3,3-trifluoropropanenitrile?
The InChIKey is RLFZZTCTNVKDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2F3N2/c11-7-1-2-8(12)9(3-7)17-5-6(4-16)10(13,14)15/h1-3,6,17H,5H2.
What are the key properties of 2-[(2,5-dichloroanilino)methyl]-3,3,3-trifluoropropanenitrile?
2-[(2,5-dichloroanilino)methyl]-3,3,3-trifluoropropanenitrile has a molecular weight of 283.08 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichloroanilino)methyl]-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 103366885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).