4-(1-amino-2-fluoropropan-2-yl)-5-chlorobenzene-1,2-diol

C9H11ClFNO2 — CID 105426011

IUPAC4-(1-amino-2-fluoropropan-2-yl)-5-chlorobenzene-1,2-diol
SMILESCC(F)(CN)c1cc(O)c(O)cc1Cl
InChIInChI=1S/C9H11ClFNO2/c1-9(11,4-12)5-2-7(13)8(14)3-6(5)10/h2-3,13-14H,4,12H2,1H3
InChIKeyIQFRCVUPAZNEPB-UHFFFAOYSA-N
MW219.64 g/mol
LogP1.89
Rot. Bonds2

About 4-(1-amino-2-fluoropropan-2-yl)-5-chlorobenzene-1,2-diol

4-(1-amino-2-fluoropropan-2-yl)-5-chlorobenzene-1,2-diol (PubChem CID 105426011) has the molecular formula C9H11ClFNO2 and a molecular weight of 219.64 g/mol. Its IUPAC name is 4-(1-amino-2-fluoropropan-2-yl)-5-chlorobenzene-1,2-diol.

Molecular Properties

Compound Name4-(1-amino-2-fluoropropan-2-yl)-5-chlorobenzene-1,2-diol
PubChem CID105426011
Molecular FormulaC9H11ClFNO2
Molecular Weight219.64 g/mol
Exact Mass219.05
IUPAC Name4-(1-amino-2-fluoropropan-2-yl)-5-chlorobenzene-1,2-diol
SMILESCC(F)(CN)c1cc(O)c(O)cc1Cl
InChIInChI=1S/C9H11ClFNO2/c1-9(11,4-12)5-2-7(13)8(14)3-6(5)10/h2-3,13-14H,4,12H2,1H3
InChIKeyIQFRCVUPAZNEPB-UHFFFAOYSA-N
XLogP1.89
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.64
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2,4-dichlorophenyl)-2-fluoropropan-1-amine
CID 124567259
4-(1-amino-2-fluoropropan-2-yl)benzene-1,2-diol
CID 105425989
2-(2,3-dichlorophenyl)-2-fluoropropan-1-amine
CID 112565101
2-(1-amino-2-methylpropan-2-yl)-5-chlorophenol
CID 83699928
3-(1-amino-2-fluoropropan-2-yl)-4-methoxyphenol
CID 105425939
4-(1-amino-2-fluoropropan-2-yl)-3-methoxyphenol
CID 105426160
5-tert-butyl-4-chloro-2-ethylphenol
CID 118092257
2-fluoro-2-(4-fluoro-2-methylphenyl)propan-1-amine
CID 112565193
4-amino-2-chloro-5-(trifluoromethyl)phenol
CID 131210150
2-(6-chloro-1,3-benzodioxol-5-yl)-2-fluoropropan-1-ol
CID 105424287
2-(3-chloro-4-propan-2-ylphenyl)-2-fluoropropan-1-amine
CID 105424769
2-(2-chloro-5-fluoro-4-methylphenyl)-2,2-difluoroethanamine
CID 116838633

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-fluoropropan-2-yl)-5-chlorobenzene-1,2-diol?
The IUPAC name of 4-(1-amino-2-fluoropropan-2-yl)-5-chlorobenzene-1,2-diol (CID 105426011) is 4-(1-amino-2-fluoropropan-2-yl)-5-chlorobenzene-1,2-diol.
What is the SMILES notation for 4-(1-amino-2-fluoropropan-2-yl)-5-chlorobenzene-1,2-diol?
The canonical SMILES for 4-(1-amino-2-fluoropropan-2-yl)-5-chlorobenzene-1,2-diol is CC(F)(CN)c1cc(O)c(O)cc1Cl.
What is the InChIKey of 4-(1-amino-2-fluoropropan-2-yl)-5-chlorobenzene-1,2-diol?
The InChIKey is IQFRCVUPAZNEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO2/c1-9(11,4-12)5-2-7(13)8(14)3-6(5)10/h2-3,13-14H,4,12H2,1H3.
What are the key properties of 4-(1-amino-2-fluoropropan-2-yl)-5-chlorobenzene-1,2-diol?
4-(1-amino-2-fluoropropan-2-yl)-5-chlorobenzene-1,2-diol has a molecular weight of 219.64 g/mol, XLogP of 1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-fluoropropan-2-yl)-5-chlorobenzene-1,2-diol is sourced from PubChem (CID 105426011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).