2-N-(3,3-difluoropropyl)-3-fluorobenzene-1,2-diamine

C9H11F3N2 — CID 131093444

IUPAC2-N-(3,3-difluoropropyl)-3-fluorobenzene-1,2-diamine
SMILESNc1cccc(F)c1NCCC(F)F
InChIInChI=1S/C9H11F3N2/c10-6-2-1-3-7(13)9(6)14-5-4-8(11)12/h1-3,8,14H,4-5,13H2
InChIKeyXYBAHQJQAKVYGD-UHFFFAOYSA-N
MW204.20 g/mol
LogP2.47
Rot. Bonds4

About 2-N-(3,3-difluoropropyl)-3-fluorobenzene-1,2-diamine

2-N-(3,3-difluoropropyl)-3-fluorobenzene-1,2-diamine (PubChem CID 131093444) has the molecular formula C9H11F3N2 and a molecular weight of 204.20 g/mol. Its IUPAC name is 2-N-(3,3-difluoropropyl)-3-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(3,3-difluoropropyl)-3-fluorobenzene-1,2-diamine
PubChem CID131093444
Molecular FormulaC9H11F3N2
Molecular Weight204.20 g/mol
Exact Mass204.09
IUPAC Name2-N-(3,3-difluoropropyl)-3-fluorobenzene-1,2-diamine
SMILESNc1cccc(F)c1NCCC(F)F
InChIInChI=1S/C9H11F3N2/c10-6-2-1-3-7(13)9(6)14-5-4-8(11)12/h1-3,8,14H,4-5,13H2
InChIKeyXYBAHQJQAKVYGD-UHFFFAOYSA-N
XLogP2.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-2-N-(4-methylpentyl)benzene-1,2-diamine
CID 115125827
3-fluoro-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 53255758
2-N-[2-(4-ethylphenyl)ethyl]-3-fluorobenzene-1,2-diamine
CID 115125831
3-fluoro-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine
CID 115125857
3-fluoro-2-N-[2-(4-methylphenyl)ethyl]benzene-1,2-diamine
CID 115125830
2-N-(2-cyclohexylethyl)-3-fluorobenzene-1,2-diamine
CID 115125862
2-N-[2-(2,5-difluorophenyl)ethyl]-3-fluorobenzene-1,2-diamine
CID 115125843
3-fluoro-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine
CID 115125852
2-N-[2-(5-bromothiophen-2-yl)ethyl]-3-fluorobenzene-1,2-diamine
CID 115125840
2,6-difluoro-N-propylaniline
CID 21161523
3-fluoro-2-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine
CID 115125725
N,N'-bis(2,6-difluorophenyl)propane-1,3-diamine
CID 22968008

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,3-difluoropropyl)-3-fluorobenzene-1,2-diamine?
The IUPAC name of 2-N-(3,3-difluoropropyl)-3-fluorobenzene-1,2-diamine (CID 131093444) is 2-N-(3,3-difluoropropyl)-3-fluorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-(3,3-difluoropropyl)-3-fluorobenzene-1,2-diamine?
The canonical SMILES for 2-N-(3,3-difluoropropyl)-3-fluorobenzene-1,2-diamine is Nc1cccc(F)c1NCCC(F)F.
What is the InChIKey of 2-N-(3,3-difluoropropyl)-3-fluorobenzene-1,2-diamine?
The InChIKey is XYBAHQJQAKVYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2/c10-6-2-1-3-7(13)9(6)14-5-4-8(11)12/h1-3,8,14H,4-5,13H2.
What are the key properties of 2-N-(3,3-difluoropropyl)-3-fluorobenzene-1,2-diamine?
2-N-(3,3-difluoropropyl)-3-fluorobenzene-1,2-diamine has a molecular weight of 204.20 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,3-difluoropropyl)-3-fluorobenzene-1,2-diamine is sourced from PubChem (CID 131093444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).