1-(2-amino-5-chloro-3-fluorophenyl)-4-chlorobutane-1,2-diol

C10H12Cl2FNO2 — CID 171893871

IUPAC1-(2-amino-5-chloro-3-fluorophenyl)-4-chlorobutane-1,2-diol
SMILESNc1c(F)cc(Cl)cc1C(O)C(O)CCCl
InChIInChI=1S/C10H12Cl2FNO2/c11-2-1-8(15)10(16)6-3-5(12)4-7(13)9(6)14/h3-4,8,10,15-16H,1-2,14H2
InChIKeyFZWHUHBPLWGHJO-UHFFFAOYSA-N
MW268.11 g/mol
LogP2.08
Rot. Bonds4

About 1-(2-amino-5-chloro-3-fluorophenyl)-4-chlorobutane-1,2-diol

1-(2-amino-5-chloro-3-fluorophenyl)-4-chlorobutane-1,2-diol (PubChem CID 171893871) has the molecular formula C10H12Cl2FNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 1-(2-amino-5-chloro-3-fluorophenyl)-4-chlorobutane-1,2-diol.

Molecular Properties

Compound Name1-(2-amino-5-chloro-3-fluorophenyl)-4-chlorobutane-1,2-diol
PubChem CID171893871
Molecular FormulaC10H12Cl2FNO2
Molecular Weight268.11 g/mol
Exact Mass267.02
IUPAC Name1-(2-amino-5-chloro-3-fluorophenyl)-4-chlorobutane-1,2-diol
SMILESNc1c(F)cc(Cl)cc1C(O)C(O)CCCl
InChIInChI=1S/C10H12Cl2FNO2/c11-2-1-8(15)10(16)6-3-5(12)4-7(13)9(6)14/h3-4,8,10,15-16H,1-2,14H2
InChIKeyFZWHUHBPLWGHJO-UHFFFAOYSA-N
XLogP2.08
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.08
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

3-amino-1-(2-amino-5-chloro-3-fluorophenyl)propane-1,2-diol
CID 170828108
1-(2-amino-5-chloro-3-fluorophenyl)-3-sulfanylpropane-1,2-diol
CID 170819947
1-(2-amino-5-chloro-3-pyridinyl)-4-chlorobutane-1,2-diol
CID 171893439
1-(2-amino-3,5-dimethylphenyl)-4-chlorobutane-1,2-diol
CID 171893848
1-(2-amino-3,5-dichlorophenyl)-4-bromobutane-1,2-diol
CID 171892078
tert-butyl N-[3-(2-amino-5-chloro-3-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170832186
1-(4-amino-2,5-dichlorophenyl)-4-chlorobutane-1,2-diol
CID 171893875
1-(5-chloro-3-fluoro-2-hydroxyphenyl)-4-sulfanylbutane-1,2-diol
CID 171874048
1-(2-amino-4-hydroxyphenyl)-4-chlorobutane-1,2-diol
CID 171893574
1-(2-amino-5-fluoro-3-pyridinyl)-4-chlorobutane-1,2-diol
CID 171893440
3-(4-chloro-1,2-dihydroxybutyl)-2,6-difluorobenzaldehyde
CID 171894152
3-(4-chloro-1,2-dihydroxybutyl)-2,6-difluorobenzoic acid
CID 171894379

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chloro-3-fluorophenyl)-4-chlorobutane-1,2-diol?
The IUPAC name of 1-(2-amino-5-chloro-3-fluorophenyl)-4-chlorobutane-1,2-diol (CID 171893871) is 1-(2-amino-5-chloro-3-fluorophenyl)-4-chlorobutane-1,2-diol.
What is the SMILES notation for 1-(2-amino-5-chloro-3-fluorophenyl)-4-chlorobutane-1,2-diol?
The canonical SMILES for 1-(2-amino-5-chloro-3-fluorophenyl)-4-chlorobutane-1,2-diol is Nc1c(F)cc(Cl)cc1C(O)C(O)CCCl.
What is the InChIKey of 1-(2-amino-5-chloro-3-fluorophenyl)-4-chlorobutane-1,2-diol?
The InChIKey is FZWHUHBPLWGHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2FNO2/c11-2-1-8(15)10(16)6-3-5(12)4-7(13)9(6)14/h3-4,8,10,15-16H,1-2,14H2.
What are the key properties of 1-(2-amino-5-chloro-3-fluorophenyl)-4-chlorobutane-1,2-diol?
1-(2-amino-5-chloro-3-fluorophenyl)-4-chlorobutane-1,2-diol has a molecular weight of 268.11 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-chloro-3-fluorophenyl)-4-chlorobutane-1,2-diol is sourced from PubChem (CID 171893871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).