1-(6-amino-2,3-difluorophenyl)ethane-1,2-diamine

C8H11F2N3 — CID 55274919

IUPAC1-(6-amino-2,3-difluorophenyl)ethane-1,2-diamine
SMILESNCC(N)c1c(N)ccc(F)c1F
InChIInChI=1S/C8H11F2N3/c9-4-1-2-5(12)7(8(4)10)6(13)3-11/h1-2,6H,3,11-13H2
InChIKeyCWWIPHNFKABGGN-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.51
Rot. Bonds2

About 1-(6-amino-2,3-difluorophenyl)ethane-1,2-diamine

1-(6-amino-2,3-difluorophenyl)ethane-1,2-diamine (PubChem CID 55274919) has the molecular formula C8H11F2N3 and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-(6-amino-2,3-difluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(6-amino-2,3-difluorophenyl)ethane-1,2-diamine
PubChem CID55274919
Molecular FormulaC8H11F2N3
Molecular Weight187.19 g/mol
Exact Mass187.09
IUPAC Name1-(6-amino-2,3-difluorophenyl)ethane-1,2-diamine
SMILESNCC(N)c1c(N)ccc(F)c1F
InChIInChI=1S/C8H11F2N3/c9-4-1-2-5(12)7(8(4)10)6(13)3-11/h1-2,6H,3,11-13H2
InChIKeyCWWIPHNFKABGGN-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

(1S)-1-(2-amino-6-fluorophenyl)ethane-1,2-diamine
CID 66516155
1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine
CID 55272041
(1S)-1-(2-amino-3,5,6-trifluorophenyl)ethane-1,2-diamine
CID 66517130
(1R)-1-(2,3,6-trifluorophenyl)pentane-1,5-diamine
CID 171205092
1-(4-amino-2,6-difluorophenyl)ethane-1,2-diamine
CID 77130849
(1R)-1-(2,6-difluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171223663
(1S)-1-(2-ethyl-3,4-difluorophenyl)ethane-1,2-diamine
CID 131029109
(1S)-1-(3,6-dichloro-2-fluorophenyl)ethane-1,2-diamine
CID 130692629
3-chloro-2-[(1R)-1,2-diaminoethyl]-6-fluorophenol
CID 131010003
(3R)-3-amino-3-(2,3,6-trifluorophenyl)propanoic acid;hydrochloride
CID 162344590
2-[(1S)-1,2-diaminoethyl]-4-fluoro-3-methylphenol
CID 130618119
(1R)-1-(2-amino-6-bromophenyl)ethane-1,2-diamine
CID 131173127

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2,3-difluorophenyl)ethane-1,2-diamine?
The IUPAC name of 1-(6-amino-2,3-difluorophenyl)ethane-1,2-diamine (CID 55274919) is 1-(6-amino-2,3-difluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(6-amino-2,3-difluorophenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(6-amino-2,3-difluorophenyl)ethane-1,2-diamine is NCC(N)c1c(N)ccc(F)c1F.
What is the InChIKey of 1-(6-amino-2,3-difluorophenyl)ethane-1,2-diamine?
The InChIKey is CWWIPHNFKABGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3/c9-4-1-2-5(12)7(8(4)10)6(13)3-11/h1-2,6H,3,11-13H2.
What are the key properties of 1-(6-amino-2,3-difluorophenyl)ethane-1,2-diamine?
1-(6-amino-2,3-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-(6-amino-2,3-difluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 55274919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).