1-(2-amino-6-fluorophenyl)-3-bromopropane-1,2-diol

C9H11BrFNO2 — CID 171859699

IUPAC1-(2-amino-6-fluorophenyl)-3-bromopropane-1,2-diol
SMILESNc1cccc(F)c1C(O)C(O)CBr
InChIInChI=1S/C9H11BrFNO2/c10-4-7(13)9(14)8-5(11)2-1-3-6(8)12/h1-3,7,9,13-14H,4,12H2
InChIKeyYXLPZFCTNXIUBI-UHFFFAOYSA-N
MW264.09 g/mol
LogP1.20
Rot. Bonds3

About 1-(2-amino-6-fluorophenyl)-3-bromopropane-1,2-diol

1-(2-amino-6-fluorophenyl)-3-bromopropane-1,2-diol (PubChem CID 171859699) has the molecular formula C9H11BrFNO2 and a molecular weight of 264.09 g/mol. Its IUPAC name is 1-(2-amino-6-fluorophenyl)-3-bromopropane-1,2-diol.

Molecular Properties

Compound Name1-(2-amino-6-fluorophenyl)-3-bromopropane-1,2-diol
PubChem CID171859699
Molecular FormulaC9H11BrFNO2
Molecular Weight264.09 g/mol
Exact Mass263.00
IUPAC Name1-(2-amino-6-fluorophenyl)-3-bromopropane-1,2-diol
SMILESNc1cccc(F)c1C(O)C(O)CBr
InChIInChI=1S/C9H11BrFNO2/c10-4-7(13)9(14)8-5(11)2-1-3-6(8)12/h1-3,7,9,13-14H,4,12H2
InChIKeyYXLPZFCTNXIUBI-UHFFFAOYSA-N
XLogP1.20
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

S-[3-(2-amino-6-fluorophenyl)-2,3-dihydroxypropyl] ethanethioate
CID 170821651
4-bromo-1-(2,6-difluorophenyl)butane-1,2-diol
CID 171891582
4-amino-1-(2,6-difluorophenyl)butane-1,2-diol
CID 171880830
2-[(1S)-1-aminopropyl]-3-fluoroaniline
CID 55295307
3-bromo-1-(2,6-dichlorophenyl)propane-1,2-diol
CID 171859547
(1S)-1-(2-amino-6-fluorophenyl)ethane-1,2-diamine
CID 66516155
9H-fluoren-9-ylmethyl N-[3-(2-amino-6-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833890
2-(3-bromo-1,2-dihydroxypropyl)-6-fluorobenzoic acid
CID 171860258
1-(3-amino-2-nitrophenyl)-3-bromopropane-1,2-diol
CID 171860368
1-amino-1-(2-amino-6-fluorophenyl)propan-2-one
CID 55293837
1-(3-amino-2,6-difluorophenyl)propane-1,2,3-triol
CID 170817924
4-(2-bromo-6-fluorophenyl)-3,4-dihydroxybutanoic acid
CID 171878758

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-fluorophenyl)-3-bromopropane-1,2-diol?
The IUPAC name of 1-(2-amino-6-fluorophenyl)-3-bromopropane-1,2-diol (CID 171859699) is 1-(2-amino-6-fluorophenyl)-3-bromopropane-1,2-diol.
What is the SMILES notation for 1-(2-amino-6-fluorophenyl)-3-bromopropane-1,2-diol?
The canonical SMILES for 1-(2-amino-6-fluorophenyl)-3-bromopropane-1,2-diol is Nc1cccc(F)c1C(O)C(O)CBr.
What is the InChIKey of 1-(2-amino-6-fluorophenyl)-3-bromopropane-1,2-diol?
The InChIKey is YXLPZFCTNXIUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO2/c10-4-7(13)9(14)8-5(11)2-1-3-6(8)12/h1-3,7,9,13-14H,4,12H2.
What are the key properties of 1-(2-amino-6-fluorophenyl)-3-bromopropane-1,2-diol?
1-(2-amino-6-fluorophenyl)-3-bromopropane-1,2-diol has a molecular weight of 264.09 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-fluorophenyl)-3-bromopropane-1,2-diol is sourced from PubChem (CID 171859699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).