1-N-(2,4-difluorophenyl)pentane-1,4-diamine

C11H16F2N2 — CID 115203586

IUPAC1-N-(2,4-difluorophenyl)pentane-1,4-diamine
SMILESCC(N)CCCNc1ccc(F)cc1F
InChIInChI=1S/C11H16F2N2/c1-8(14)3-2-6-15-11-5-4-9(12)7-10(11)13/h4-5,7-8,15H,2-3,6,14H2,1H3
InChIKeyOQKYIJDJVICEQL-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.50
Rot. Bonds5

About 1-N-(2,4-difluorophenyl)pentane-1,4-diamine

1-N-(2,4-difluorophenyl)pentane-1,4-diamine (PubChem CID 115203586) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-N-(2,4-difluorophenyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-(2,4-difluorophenyl)pentane-1,4-diamine
PubChem CID115203586
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-N-(2,4-difluorophenyl)pentane-1,4-diamine
SMILESCC(N)CCCNc1ccc(F)cc1F
InChIInChI=1S/C11H16F2N2/c1-8(14)3-2-6-15-11-5-4-9(12)7-10(11)13/h4-5,7-8,15H,2-3,6,14H2,1H3
InChIKeyOQKYIJDJVICEQL-UHFFFAOYSA-N
XLogP2.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-N-(3-fluoropropyl)aniline
CID 81106316
2,4-difluoro-N-nonylaniline
CID 43129325
1-N-(3,5-difluoro-2-pyridinyl)pentane-1,4-diamine
CID 106127704
5-(2,4-difluoroanilino)pentanenitrile
CID 60679330
2,4-difluoro-N-(4-methoxybutyl)aniline
CID 115776867
5-(2,4-difluoroanilino)pentan-2-one
CID 115236220
N-(2,4-difluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 23540138
5-(2,4-difluorophenyl)sulfanylpentan-2-amine
CID 64615173
2,4-difluoro-N-(3-methoxy-3-methylbutyl)aniline
CID 102975547
methyl 4-(2,4-difluoroanilino)butanoate
CID 43377916
3-N-(2,4-difluorophenyl)propane-1,2,3-triamine
CID 115119393
5-(2,4-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063764

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,4-difluorophenyl)pentane-1,4-diamine?
The IUPAC name of 1-N-(2,4-difluorophenyl)pentane-1,4-diamine (CID 115203586) is 1-N-(2,4-difluorophenyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N-(2,4-difluorophenyl)pentane-1,4-diamine?
The canonical SMILES for 1-N-(2,4-difluorophenyl)pentane-1,4-diamine is CC(N)CCCNc1ccc(F)cc1F.
What is the InChIKey of 1-N-(2,4-difluorophenyl)pentane-1,4-diamine?
The InChIKey is OQKYIJDJVICEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2/c1-8(14)3-2-6-15-11-5-4-9(12)7-10(11)13/h4-5,7-8,15H,2-3,6,14H2,1H3.
What are the key properties of 1-N-(2,4-difluorophenyl)pentane-1,4-diamine?
1-N-(2,4-difluorophenyl)pentane-1,4-diamine has a molecular weight of 214.26 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,4-difluorophenyl)pentane-1,4-diamine is sourced from PubChem (CID 115203586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).