2,4-difluoro-N-(3-fluoropropyl)aniline

C9H10F3N — CID 81106316

IUPAC2,4-difluoro-N-(3-fluoropropyl)aniline
SMILESFCCCNc1ccc(F)cc1F
InChIInChI=1S/C9H10F3N/c10-4-1-5-13-9-3-2-7(11)6-8(9)12/h2-3,6,13H,1,4-5H2
InChIKeyMWORLRMGTDXADZ-UHFFFAOYSA-N
MW189.18 g/mol
LogP2.74
Rot. Bonds4

About 2,4-difluoro-N-(3-fluoropropyl)aniline

2,4-difluoro-N-(3-fluoropropyl)aniline (PubChem CID 81106316) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is 2,4-difluoro-N-(3-fluoropropyl)aniline.

Molecular Properties

Compound Name2,4-difluoro-N-(3-fluoropropyl)aniline
PubChem CID81106316
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name2,4-difluoro-N-(3-fluoropropyl)aniline
SMILESFCCCNc1ccc(F)cc1F
InChIInChI=1S/C9H10F3N/c10-4-1-5-13-9-3-2-7(11)6-8(9)12/h2-3,6,13H,1,4-5H2
InChIKeyMWORLRMGTDXADZ-UHFFFAOYSA-N
XLogP2.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,4-difluoro-N-(3-fluoropropyl)aniline 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

2,4-difluoro-N-nonylaniline
CID 43129325
2-chloro-5-fluoro-N-(3-fluoropropyl)aniline
CID 107528126
5-(2,4-difluoroanilino)pentanenitrile
CID 60679330
2,4-difluoro-N-(4-methoxybutyl)aniline
CID 115776867
5-bromo-2,4-difluoro-N-(3-fluoropropyl)aniline
CID 102853522
1-N-(2,4-difluorophenyl)pentane-1,4-diamine
CID 115203586
5-(2,4-difluoroanilino)pentan-2-one
CID 115236220
N-(2,4-difluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 23540138
3,5-difluoro-1-N-(3-fluoropropyl)benzene-1,2-diamine
CID 130503893
methyl 4-(2,4-difluoroanilino)butanoate
CID 43377916
5-chloro-2-fluoro-N-(3-fluoropropyl)aniline
CID 81107052
N-(2,2-difluoroethyl)-2,4-difluoroaniline
CID 60922655

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(3-fluoropropyl)aniline?
The IUPAC name of 2,4-difluoro-N-(3-fluoropropyl)aniline (CID 81106316) is 2,4-difluoro-N-(3-fluoropropyl)aniline.
What is the SMILES notation for 2,4-difluoro-N-(3-fluoropropyl)aniline?
The canonical SMILES for 2,4-difluoro-N-(3-fluoropropyl)aniline is FCCCNc1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(3-fluoropropyl)aniline?
The InChIKey is MWORLRMGTDXADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N/c10-4-1-5-13-9-3-2-7(11)6-8(9)12/h2-3,6,13H,1,4-5H2.
What are the key properties of 2,4-difluoro-N-(3-fluoropropyl)aniline?
2,4-difluoro-N-(3-fluoropropyl)aniline has a molecular weight of 189.18 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(3-fluoropropyl)aniline is sourced from PubChem (CID 81106316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).