1-(4-amino-2,6-difluorophenyl)ethane-1,2-diamine

C8H11F2N3 — CID 77130849

IUPAC1-(4-amino-2,6-difluorophenyl)ethane-1,2-diamine
SMILESNCC(N)c1c(F)cc(N)cc1F
InChIInChI=1S/C8H11F2N3/c9-5-1-4(12)2-6(10)8(5)7(13)3-11/h1-2,7H,3,11-13H2
InChIKeyPFRPQSRZMDMRLI-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.51
Rot. Bonds2

About 1-(4-amino-2,6-difluorophenyl)ethane-1,2-diamine

1-(4-amino-2,6-difluorophenyl)ethane-1,2-diamine (PubChem CID 77130849) has the molecular formula C8H11F2N3 and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-(4-amino-2,6-difluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-amino-2,6-difluorophenyl)ethane-1,2-diamine
PubChem CID77130849
Molecular FormulaC8H11F2N3
Molecular Weight187.19 g/mol
Exact Mass187.09
IUPAC Name1-(4-amino-2,6-difluorophenyl)ethane-1,2-diamine
SMILESNCC(N)c1c(F)cc(N)cc1F
InChIInChI=1S/C8H11F2N3/c9-5-1-4(12)2-6(10)8(5)7(13)3-11/h1-2,7H,3,11-13H2
InChIKeyPFRPQSRZMDMRLI-UHFFFAOYSA-N
XLogP0.51
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-2-(4-amino-2,6-difluorophenyl)ethanol
CID 66514003
(1R)-1-(2,6-difluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171223663
(1S)-1-(2-amino-3,5,6-trifluorophenyl)ethane-1,2-diamine
CID 66517130
(1S)-1-(4-amino-2-fluorophenyl)ethane-1,2-diamine
CID 55275012
1-(6-amino-2,3-difluorophenyl)ethane-1,2-diamine
CID 55274919
(1S)-1-(2-amino-6-fluorophenyl)ethane-1,2-diamine
CID 66516155
4-amino-1-(4-amino-2,6-difluorophenyl)butane-1,2-diol
CID 171881338
4-[(1R)-1-amino-2,2,2-trifluoroethyl]-3,5-difluoroaniline
CID 66511460
(1R)-1-(2,4,6-trifluorophenyl)butane-1,4-diamine
CID 171204878
(1S)-1-(2-amino-4-fluoro-5-methylphenyl)ethane-1,2-diamine
CID 130739605
(1S)-1-(4-bromo-2,6-difluorophenyl)butane-1,4-diamine
CID 171226270
1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine
CID 55272041

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,6-difluorophenyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-amino-2,6-difluorophenyl)ethane-1,2-diamine (CID 77130849) is 1-(4-amino-2,6-difluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-amino-2,6-difluorophenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-amino-2,6-difluorophenyl)ethane-1,2-diamine is NCC(N)c1c(F)cc(N)cc1F.
What is the InChIKey of 1-(4-amino-2,6-difluorophenyl)ethane-1,2-diamine?
The InChIKey is PFRPQSRZMDMRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3/c9-5-1-4(12)2-6(10)8(5)7(13)3-11/h1-2,7H,3,11-13H2.
What are the key properties of 1-(4-amino-2,6-difluorophenyl)ethane-1,2-diamine?
1-(4-amino-2,6-difluorophenyl)ethane-1,2-diamine has a molecular weight of 187.19 g/mol, XLogP of 0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,6-difluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 77130849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).