3,5-difluoro-1-N-(3-fluoropropyl)benzene-1,2-diamine

C9H11F3N2 — CID 130503893

IUPAC3,5-difluoro-1-N-(3-fluoropropyl)benzene-1,2-diamine
SMILESNc1c(F)cc(F)cc1NCCCF
InChIInChI=1S/C9H11F3N2/c10-2-1-3-14-8-5-6(11)4-7(12)9(8)13/h4-5,14H,1-3,13H2
InChIKeySTWOIPSOWXNKEI-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.32
Rot. Bonds4

About 3,5-difluoro-1-N-(3-fluoropropyl)benzene-1,2-diamine

3,5-difluoro-1-N-(3-fluoropropyl)benzene-1,2-diamine (PubChem CID 130503893) has the molecular formula C9H11F3N2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 3,5-difluoro-1-N-(3-fluoropropyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3,5-difluoro-1-N-(3-fluoropropyl)benzene-1,2-diamine
PubChem CID130503893
Molecular FormulaC9H11F3N2
Molecular Weight204.19 g/mol
Exact Mass204.09
IUPAC Name3,5-difluoro-1-N-(3-fluoropropyl)benzene-1,2-diamine
SMILESNc1c(F)cc(F)cc1NCCCF
InChIInChI=1S/C9H11F3N2/c10-2-1-3-14-8-5-6(11)4-7(12)9(8)13/h4-5,14H,1-3,13H2
InChIKeySTWOIPSOWXNKEI-UHFFFAOYSA-N
XLogP2.32
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-difluoro-1-N-(4-methylpentyl)benzene-1,2-diamine
CID 115506964
1-N-(3-cyclopentylpropyl)-3,5-difluorobenzene-1,2-diamine
CID 114136547
3,5-difluoro-1-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,2-diamine
CID 114139257
2,4-difluoro-N-(3-fluoropropyl)aniline
CID 81106316
3,5-difluoro-1-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,2-diamine
CID 114187357
methyl 3-(2-amino-3,5-difluoroanilino)propanoate
CID 115506688
5-bromo-2,4-difluoro-N-(3-fluoropropyl)aniline
CID 102853522
3,5-difluoro-1-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine
CID 113325255
3,5-difluoro-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
CID 106394020
3,5-difluoro-1-N-(2-thiophen-3-ylethyl)benzene-1,2-diamine
CID 115506741
3,5-difluoro-1-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
CID 106414003
3,5-difluoro-1-N-[2-(oxolan-3-yl)ethyl]benzene-1,2-diamine
CID 114129599

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-1-N-(3-fluoropropyl)benzene-1,2-diamine?
The IUPAC name of 3,5-difluoro-1-N-(3-fluoropropyl)benzene-1,2-diamine (CID 130503893) is 3,5-difluoro-1-N-(3-fluoropropyl)benzene-1,2-diamine.
What is the SMILES notation for 3,5-difluoro-1-N-(3-fluoropropyl)benzene-1,2-diamine?
The canonical SMILES for 3,5-difluoro-1-N-(3-fluoropropyl)benzene-1,2-diamine is Nc1c(F)cc(F)cc1NCCCF.
What is the InChIKey of 3,5-difluoro-1-N-(3-fluoropropyl)benzene-1,2-diamine?
The InChIKey is STWOIPSOWXNKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2/c10-2-1-3-14-8-5-6(11)4-7(12)9(8)13/h4-5,14H,1-3,13H2.
What are the key properties of 3,5-difluoro-1-N-(3-fluoropropyl)benzene-1,2-diamine?
3,5-difluoro-1-N-(3-fluoropropyl)benzene-1,2-diamine has a molecular weight of 204.19 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-1-N-(3-fluoropropyl)benzene-1,2-diamine is sourced from PubChem (CID 130503893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).