N'-(3,4-difluorophenyl)butane-1,4-diamine

C10H14F2N2 — CID 83953114

IUPACN'-(3,4-difluorophenyl)butane-1,4-diamine
SMILESNCCCCNc1ccc(F)c(F)c1
InChIInChI=1S/C10H14F2N2/c11-9-4-3-8(7-10(9)12)14-6-2-1-5-13/h3-4,7,14H,1-2,5-6,13H2
InChIKeyPFHQZBFLIZLLHZ-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.12
Rot. Bonds5

About N'-(3,4-difluorophenyl)butane-1,4-diamine

N'-(3,4-difluorophenyl)butane-1,4-diamine (PubChem CID 83953114) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is N'-(3,4-difluorophenyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(3,4-difluorophenyl)butane-1,4-diamine
PubChem CID83953114
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC NameN'-(3,4-difluorophenyl)butane-1,4-diamine
SMILESNCCCCNc1ccc(F)c(F)c1
InChIInChI=1S/C10H14F2N2/c11-9-4-3-8(7-10(9)12)14-6-2-1-5-13/h3-4,7,14H,1-2,5-6,13H2
InChIKeyPFHQZBFLIZLLHZ-UHFFFAOYSA-N
XLogP2.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.12
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

N'-(3-fluoro-4-methylphenyl)pentane-1,5-diamine
CID 59230672
N'-(3,4-dimethylphenyl)butane-1,4-diamine
CID 94253623
N'-(3-chloro-4-methylphenyl)butane-1,4-diamine
CID 94256638
5-(3,4-difluoroanilino)pentanoic acid
CID 28972140
3,4-difluoro-N-(4-methylpentyl)aniline
CID 83155387
N'-tert-butyl-N-(3,4-difluorophenyl)ethane-1,2-diamine
CID 107444543
N'-naphthalen-2-ylhexane-1,6-diamine
CID 83955962
4-N-(6-aminohexyl)benzene-1,4-diamine
CID 150601904
6-(3,4-difluoroanilino)-2,2-dimethylhexanenitrile
CID 106708998
(3,4-difluoroanilino)methanethiol
CID 115227598
N'-(4-fluorophenyl)propane-1,3-diamine
CID 28766537
[4-(4-aminobutylamino)phenyl]methanol
CID 83962271

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-difluorophenyl)butane-1,4-diamine?
The IUPAC name of N'-(3,4-difluorophenyl)butane-1,4-diamine (CID 83953114) is N'-(3,4-difluorophenyl)butane-1,4-diamine.
What is the SMILES notation for N'-(3,4-difluorophenyl)butane-1,4-diamine?
The canonical SMILES for N'-(3,4-difluorophenyl)butane-1,4-diamine is NCCCCNc1ccc(F)c(F)c1.
What is the InChIKey of N'-(3,4-difluorophenyl)butane-1,4-diamine?
The InChIKey is PFHQZBFLIZLLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2/c11-9-4-3-8(7-10(9)12)14-6-2-1-5-13/h3-4,7,14H,1-2,5-6,13H2.
What are the key properties of N'-(3,4-difluorophenyl)butane-1,4-diamine?
N'-(3,4-difluorophenyl)butane-1,4-diamine has a molecular weight of 200.23 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-difluorophenyl)butane-1,4-diamine is sourced from PubChem (CID 83953114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).