2-(2,4-dichloro-5-fluorophenyl)-1,1-difluoropropan-2-amine

C9H8Cl2F3N — CID 131580102

IUPAC2-(2,4-dichloro-5-fluorophenyl)-1,1-difluoropropan-2-amine
SMILESCC(N)(c1cc(F)c(Cl)cc1Cl)C(F)F
InChIInChI=1S/C9H8Cl2F3N/c1-9(15,8(13)14)4-2-7(12)6(11)3-5(4)10/h2-3,8H,15H2,1H3
InChIKeyFUGYKBIDYUAMGN-UHFFFAOYSA-N
MW258.07 g/mol
LogP3.57
Rot. Bonds2

About 2-(2,4-dichloro-5-fluorophenyl)-1,1-difluoropropan-2-amine

2-(2,4-dichloro-5-fluorophenyl)-1,1-difluoropropan-2-amine (PubChem CID 131580102) has the molecular formula C9H8Cl2F3N and a molecular weight of 258.07 g/mol. Its IUPAC name is 2-(2,4-dichloro-5-fluorophenyl)-1,1-difluoropropan-2-amine.

Molecular Properties

Compound Name2-(2,4-dichloro-5-fluorophenyl)-1,1-difluoropropan-2-amine
PubChem CID131580102
Molecular FormulaC9H8Cl2F3N
Molecular Weight258.07 g/mol
Exact Mass257.00
IUPAC Name2-(2,4-dichloro-5-fluorophenyl)-1,1-difluoropropan-2-amine
SMILESCC(N)(c1cc(F)c(Cl)cc1Cl)C(F)F
InChIInChI=1S/C9H8Cl2F3N/c1-9(15,8(13)14)4-2-7(12)6(11)3-5(4)10/h2-3,8H,15H2,1H3
InChIKeyFUGYKBIDYUAMGN-UHFFFAOYSA-N
XLogP3.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.07
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-(2,4-dichloro-5-fluorophenyl)-1,1-difluoropropan-2-amine 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-dichloro-5-fluorophenyl)-3-methylbutan-2-amine
CID 60929261
2-amino-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol
CID 61056644
1,5-dichloro-2-(1,1-dichloroethyl)-4-fluorobenzene
CID 175360558
1-(2,4-dichloro-5-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 62963746
1-(2,4-dichloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 63408241
1,5-dichloro-2-fluoro-4-(trichloromethyl)benzene
CID 13273346
1,2-ditert-butyl-4-chloro-5-fluorobenzene
CID 130260554
1-(2,4-dichloro-5-fluorophenyl)-1-thiophen-3-ylethanamine
CID 65100095
2-(2,4-dichloro-5-fluorophenyl)-4-methylpentan-2-ol
CID 60928779
2-(5-chloro-2,4-difluorophenyl)butan-2-amine
CID 130133970
ethyl 3-(2,4-dichloro-5-fluorophenyl)-2-fluoro-3-hydroxybutanoate
CID 79366289
1-(2,4-dichloro-5-fluorophenyl)-1-(3-methylphenyl)ethanamine
CID 54933232

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-1,1-difluoropropan-2-amine?
The IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)-1,1-difluoropropan-2-amine (CID 131580102) is 2-(2,4-dichloro-5-fluorophenyl)-1,1-difluoropropan-2-amine.
What is the SMILES notation for 2-(2,4-dichloro-5-fluorophenyl)-1,1-difluoropropan-2-amine?
The canonical SMILES for 2-(2,4-dichloro-5-fluorophenyl)-1,1-difluoropropan-2-amine is CC(N)(c1cc(F)c(Cl)cc1Cl)C(F)F.
What is the InChIKey of 2-(2,4-dichloro-5-fluorophenyl)-1,1-difluoropropan-2-amine?
The InChIKey is FUGYKBIDYUAMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2F3N/c1-9(15,8(13)14)4-2-7(12)6(11)3-5(4)10/h2-3,8H,15H2,1H3.
What are the key properties of 2-(2,4-dichloro-5-fluorophenyl)-1,1-difluoropropan-2-amine?
2-(2,4-dichloro-5-fluorophenyl)-1,1-difluoropropan-2-amine has a molecular weight of 258.07 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-5-fluorophenyl)-1,1-difluoropropan-2-amine is sourced from PubChem (CID 131580102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).