1-(2,5-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine

C9H6Cl2F5N — CID 43248571

IUPAC1-(2,5-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
SMILESNC(c1cc(Cl)ccc1Cl)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H6Cl2F5N/c10-4-1-2-6(11)5(3-4)7(17)8(12,13)9(14,15)16/h1-3,7H,17H2
InChIKeyXLSJDAPLFCUWIT-UHFFFAOYSA-N
MW294.05 g/mol
LogP4.19
Rot. Bonds2

About 1-(2,5-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine

1-(2,5-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine (PubChem CID 43248571) has the molecular formula C9H6Cl2F5N and a molecular weight of 294.05 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
PubChem CID43248571
Molecular FormulaC9H6Cl2F5N
Molecular Weight294.05 g/mol
Exact Mass292.98
IUPAC Name1-(2,5-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
SMILESNC(c1cc(Cl)ccc1Cl)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H6Cl2F5N/c10-4-1-2-6(11)5(3-4)7(17)8(12,13)9(14,15)16/h1-3,7H,17H2
InChIKeyXLSJDAPLFCUWIT-UHFFFAOYSA-N
XLogP4.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.05
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2,5-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-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

(1S)-1-(2-chloro-5-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171311632
2-[(1S)-1-amino-2,2,3,3,3-pentafluoropropyl]-4-chloroaniline;hydrochloride
CID 171311959
(1R)-1-(2-bromo-4-chlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171312306
(1S)-1-(2-chloro-4-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171311611
(1S)-1-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 93268532
(5-chloro-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344675
(1S)-1-(2,3-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171311628
(1R)-1-(6-chloro-1,3-benzodioxol-5-yl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171312703
2-[(1R)-1-amino-2,2,3,3,3-pentafluoropropyl]-4-chloro-6-methylphenol;hydrochloride
CID 171312698
(1R)-2,2,3,3,3-pentafluoro-1-(2,3,4-trifluorophenyl)propan-1-amine;hydrochloride
CID 171312382
2,4-dichloro-1-(1-chloro-2,2,3,3,3-pentafluoropropyl)benzene
CID 55198798
(1S)-1-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171247942

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine (CID 43248571) is 1-(2,5-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine is NC(c1cc(Cl)ccc1Cl)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine?
The InChIKey is XLSJDAPLFCUWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2F5N/c10-4-1-2-6(11)5(3-4)7(17)8(12,13)9(14,15)16/h1-3,7H,17H2.
What are the key properties of 1-(2,5-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine?
1-(2,5-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine has a molecular weight of 294.05 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine is sourced from PubChem (CID 43248571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).