4-amino-1-(4-amino-2,5-difluorophenyl)butane-1,2-diol

C10H14F2N2O2 — CID 171881337

IUPAC4-amino-1-(4-amino-2,5-difluorophenyl)butane-1,2-diol
SMILESNCCC(O)C(O)c1cc(F)c(N)cc1F
InChIInChI=1S/C10H14F2N2O2/c11-6-4-8(14)7(12)3-5(6)10(16)9(15)1-2-13/h3-4,9-10,15-16H,1-2,13-14H2
InChIKeySVIAFTMDEAKCKQ-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.29
Rot. Bonds4

About 4-amino-1-(4-amino-2,5-difluorophenyl)butane-1,2-diol

4-amino-1-(4-amino-2,5-difluorophenyl)butane-1,2-diol (PubChem CID 171881337) has the molecular formula C10H14F2N2O2 and a molecular weight of 232.23 g/mol. Its IUPAC name is 4-amino-1-(4-amino-2,5-difluorophenyl)butane-1,2-diol.

Molecular Properties

Compound Name4-amino-1-(4-amino-2,5-difluorophenyl)butane-1,2-diol
PubChem CID171881337
Molecular FormulaC10H14F2N2O2
Molecular Weight232.23 g/mol
Exact Mass232.10
IUPAC Name4-amino-1-(4-amino-2,5-difluorophenyl)butane-1,2-diol
SMILESNCCC(O)C(O)c1cc(F)c(N)cc1F
InChIInChI=1S/C10H14F2N2O2/c11-6-4-8(14)7(12)3-5(6)10(16)9(15)1-2-13/h3-4,9-10,15-16H,1-2,13-14H2
InChIKeySVIAFTMDEAKCKQ-UHFFFAOYSA-N
XLogP0.29
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-(4-amino-2-fluoro-5-methoxyphenyl)butane-1,2-diol
CID 171881741
4-(4-amino-1,2-dihydroxybutyl)-2,5-difluorobenzaldehyde
CID 171881608
1-(2-amino-4,5-difluorophenyl)-4-sulfanylbutane-1,2-diol
CID 171874160
4-amino-1-(3-amino-2-fluorophenyl)butane-1,2-diol
CID 171880979
4-amino-1-(4-amino-2,6-difluorophenyl)butane-1,2-diol
CID 171881338
4-amino-1-(2,3,5-trifluorophenyl)butane-1,2-diol
CID 171881078
3-amino-1-[4-amino-5-fluoro-2-(trifluoromethyl)phenyl]propane-1,2-diol
CID 170828929
4-amino-1-[2-fluoro-3-(hydroxymethyl)phenyl]butane-1,2-diol
CID 171881170
tert-butyl N-[3-(4-amino-2,5-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170832195
1-[4-amino-5-fluoro-2-(trifluoromethyl)phenyl]-4-(methylamino)butane-1,2-diol
CID 171891129
4-amino-1-[2-fluoro-4-(trifluoromethoxy)phenyl]butane-1,2-diol
CID 171882137
N-[3-(5-amino-2,4-difluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830125

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-amino-2,5-difluorophenyl)butane-1,2-diol?
The IUPAC name of 4-amino-1-(4-amino-2,5-difluorophenyl)butane-1,2-diol (CID 171881337) is 4-amino-1-(4-amino-2,5-difluorophenyl)butane-1,2-diol.
What is the SMILES notation for 4-amino-1-(4-amino-2,5-difluorophenyl)butane-1,2-diol?
The canonical SMILES for 4-amino-1-(4-amino-2,5-difluorophenyl)butane-1,2-diol is NCCC(O)C(O)c1cc(F)c(N)cc1F.
What is the InChIKey of 4-amino-1-(4-amino-2,5-difluorophenyl)butane-1,2-diol?
The InChIKey is SVIAFTMDEAKCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2/c11-6-4-8(14)7(12)3-5(6)10(16)9(15)1-2-13/h3-4,9-10,15-16H,1-2,13-14H2.
What are the key properties of 4-amino-1-(4-amino-2,5-difluorophenyl)butane-1,2-diol?
4-amino-1-(4-amino-2,5-difluorophenyl)butane-1,2-diol has a molecular weight of 232.23 g/mol, XLogP of 0.29, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-amino-2,5-difluorophenyl)butane-1,2-diol is sourced from PubChem (CID 171881337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).