1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2,3-triol

C9H10ClFO4 — CID 170817814

IUPAC1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2,3-triol
SMILESOCC(O)C(O)c1cc(Cl)cc(F)c1O
InChIInChI=1S/C9H10ClFO4/c10-4-1-5(8(14)6(11)2-4)9(15)7(13)3-12/h1-2,7,9,12-15H,3H2
InChIKeyNANDCFVWTNOGTD-UHFFFAOYSA-N
MW236.63 g/mol
LogP0.57
Rot. Bonds3

About 1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2,3-triol

1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2,3-triol (PubChem CID 170817814) has the molecular formula C9H10ClFO4 and a molecular weight of 236.63 g/mol. Its IUPAC name is 1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2,3-triol
PubChem CID170817814
Molecular FormulaC9H10ClFO4
Molecular Weight236.63 g/mol
Exact Mass236.03
IUPAC Name1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2,3-triol
SMILESOCC(O)C(O)c1cc(Cl)cc(F)c1O
InChIInChI=1S/C9H10ClFO4/c10-4-1-5(8(14)6(11)2-4)9(15)7(13)3-12/h1-2,7,9,12-15H,3H2
InChIKeyNANDCFVWTNOGTD-UHFFFAOYSA-N
XLogP0.57
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.63
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-3-fluoro-2-hydroxyphenyl)-4-sulfanylbutane-1,2-diol
CID 171874048
4-(5-chloro-3-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877631
1-(4-chloro-2-fluorophenyl)propane-1,2,3-triol
CID 170817442
N-[3-(5-chloro-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830014
1-(3-chloro-5-fluoro-2-hydroxyphenyl)propane-1,2,3-triol
CID 170817813
1-(5-chloro-2-fluoro-3-pyridinyl)propane-1,2,3-triol
CID 170817616
2-[(1S)-1-amino-2,2-difluoroethyl]-4-chloro-6-fluorophenol
CID 130817305
1-(2-chloro-5-fluorophenyl)propane-1,2,3-triol
CID 170817435
2-[(1S)-1-aminopropyl]-4-chloro-6-fluorophenol;hydrochloride
CID 171255924
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
3-bromo-1-(4-chloro-2-fluorophenyl)propane-1,2-diol
CID 171859552

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2,3-triol?
The IUPAC name of 1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2,3-triol (CID 170817814) is 1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2,3-triol.
What is the SMILES notation for 1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2,3-triol?
The canonical SMILES for 1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2,3-triol is OCC(O)C(O)c1cc(Cl)cc(F)c1O.
What is the InChIKey of 1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2,3-triol?
The InChIKey is NANDCFVWTNOGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFO4/c10-4-1-5(8(14)6(11)2-4)9(15)7(13)3-12/h1-2,7,9,12-15H,3H2.
What are the key properties of 1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2,3-triol?
1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2,3-triol has a molecular weight of 236.63 g/mol, XLogP of 0.57, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-fluoro-2-hydroxyphenyl)propane-1,2,3-triol is sourced from PubChem (CID 170817814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).