4-(1,2-diaminoethyl)-2,6-difluorophenol

C8H10F2N2O — CID 55272259

IUPAC4-(1,2-diaminoethyl)-2,6-difluorophenol
SMILESNCC(N)c1cc(F)c(O)c(F)c1
InChIInChI=1S/C8H10F2N2O/c9-5-1-4(7(12)3-11)2-6(10)8(5)13/h1-2,7,13H,3,11-12H2
InChIKeyIORBVKXPJIJHDQ-UHFFFAOYSA-N
MW188.18 g/mol
LogP0.63
Rot. Bonds2

About 4-(1,2-diaminoethyl)-2,6-difluorophenol

4-(1,2-diaminoethyl)-2,6-difluorophenol (PubChem CID 55272259) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 4-(1,2-diaminoethyl)-2,6-difluorophenol.

Molecular Properties

Compound Name4-(1,2-diaminoethyl)-2,6-difluorophenol
PubChem CID55272259
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name4-(1,2-diaminoethyl)-2,6-difluorophenol
SMILESNCC(N)c1cc(F)c(O)c(F)c1
InChIInChI=1S/C8H10F2N2O/c9-5-1-4(7(12)3-11)2-6(10)8(5)13/h1-2,7,13H,3,11-12H2
InChIKeyIORBVKXPJIJHDQ-UHFFFAOYSA-N
XLogP0.63
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4,5-trifluorophenyl)ethane-1,2-diamine;dihydrochloride
CID 71758657
4-[(1R)-1,2-diaminoethyl]-2,6-dimethylphenol
CID 66516147
5-(1,2-diaminoethyl)-2-fluorophenol
CID 55283589
1-(3,4-dichloro-5-fluorophenyl)ethane-1,2-diamine
CID 77131117
(1S)-1-(3,4-dichloro-5-fluorophenyl)ethane-1,2-diamine
CID 66517409
2,6-dichloro-4-[(1R)-1,2-diaminoethyl]phenol;hydrochloride
CID 171224788
[4-(1,2-diaminoethyl)-2-fluorophenyl]methanol
CID 55283323
(1R)-1-[4-(aminomethyl)-3-fluorophenyl]ethane-1,2-diamine
CID 66516658
4-(1-amino-2,2-dimethylpropyl)-2,6-difluorophenol
CID 130042032
(1S)-1-(4-bromo-3-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171201771
(2R)-2-amino-2-(3,5-difluoro-4-hydroxyphenyl)acetic acid
CID 130647675
3-[(1R)-1,2-diaminoethyl]-5-fluoro-4-hydroxybenzoic acid
CID 66516774

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-diaminoethyl)-2,6-difluorophenol?
The IUPAC name of 4-(1,2-diaminoethyl)-2,6-difluorophenol (CID 55272259) is 4-(1,2-diaminoethyl)-2,6-difluorophenol.
What is the SMILES notation for 4-(1,2-diaminoethyl)-2,6-difluorophenol?
The canonical SMILES for 4-(1,2-diaminoethyl)-2,6-difluorophenol is NCC(N)c1cc(F)c(O)c(F)c1.
What is the InChIKey of 4-(1,2-diaminoethyl)-2,6-difluorophenol?
The InChIKey is IORBVKXPJIJHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c9-5-1-4(7(12)3-11)2-6(10)8(5)13/h1-2,7,13H,3,11-12H2.
What are the key properties of 4-(1,2-diaminoethyl)-2,6-difluorophenol?
4-(1,2-diaminoethyl)-2,6-difluorophenol has a molecular weight of 188.18 g/mol, XLogP of 0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-diaminoethyl)-2,6-difluorophenol is sourced from PubChem (CID 55272259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).