(2S)-3-(3-chloro-2-fluoroanilino)propane-1,2-diol

C9H11ClFNO2 — CID 61143077

IUPAC(2S)-3-(3-chloro-2-fluoroanilino)propane-1,2-diol
SMILESOC[C@@H](O)CNc1cccc(Cl)c1F
InChIInChI=1S/C9H11ClFNO2/c10-7-2-1-3-8(9(7)11)12-4-6(14)5-13/h1-3,6,12-14H,4-5H2/t6-/m0/s1
InChIKeyOFXWSRSVXXKGJU-LURJTMIESA-N
MW219.64 g/mol
LogP1.24
Rot. Bonds4

About (2S)-3-(3-chloro-2-fluoroanilino)propane-1,2-diol

(2S)-3-(3-chloro-2-fluoroanilino)propane-1,2-diol (PubChem CID 61143077) has the molecular formula C9H11ClFNO2 and a molecular weight of 219.64 g/mol. Its IUPAC name is (2S)-3-(3-chloro-2-fluoroanilino)propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-(3-chloro-2-fluoroanilino)propane-1,2-diol
PubChem CID61143077
Molecular FormulaC9H11ClFNO2
Molecular Weight219.64 g/mol
Exact Mass219.05
IUPAC Name(2S)-3-(3-chloro-2-fluoroanilino)propane-1,2-diol
SMILESOC[C@@H](O)CNc1cccc(Cl)c1F
InChIInChI=1S/C9H11ClFNO2/c10-7-2-1-3-8(9(7)11)12-4-6(14)5-13/h1-3,6,12-14H,4-5H2/t6-/m0/s1
InChIKeyOFXWSRSVXXKGJU-LURJTMIESA-N
XLogP1.24
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.64
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(2,3-dichloroanilino)propane-1,2-diol
CID 61143030
2-(3-chloro-2-fluoroanilino)-1-(3-fluorophenyl)ethanol
CID 60900596
1-(2-chloroanilino)-3-fluoropropan-2-ol
CID 130859302
3-(4-amino-2-chloroanilino)propane-1,2-diol
CID 66176348
3-(naphthalen-1-ylamino)propane-1,2-diol
CID 3017963
2-(2,3-dihydroxypropylamino)-6-fluorobenzamide
CID 168593553
3-[(2-chloroquinolin-8-yl)amino]propane-1,2-diol
CID 168596797
(2R)-3-[(2,6-dichlorophenyl)methylamino]propane-1,2-diol
CID 96921213
3-(3-chloro-2-fluoroanilino)-2-phenylpropanenitrile
CID 64537008
2-(3-chloro-2-fluoroanilino)-N-(2,6-dichlorophenyl)acetamide
CID 43408733
2-[4-(2,3-dihydroxypropylamino)-2,3-difluorophenyl]acetic acid
CID 168595696
3-(2-chloro-4-fluoro-3-methylanilino)propane-1,2-diol
CID 168594510

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3-chloro-2-fluoroanilino)propane-1,2-diol?
The IUPAC name of (2S)-3-(3-chloro-2-fluoroanilino)propane-1,2-diol (CID 61143077) is (2S)-3-(3-chloro-2-fluoroanilino)propane-1,2-diol.
What is the SMILES notation for (2S)-3-(3-chloro-2-fluoroanilino)propane-1,2-diol?
The canonical SMILES for (2S)-3-(3-chloro-2-fluoroanilino)propane-1,2-diol is OC[C@@H](O)CNc1cccc(Cl)c1F.
What is the InChIKey of (2S)-3-(3-chloro-2-fluoroanilino)propane-1,2-diol?
The InChIKey is OFXWSRSVXXKGJU-LURJTMIESA-N. The full InChI is InChI=1S/C9H11ClFNO2/c10-7-2-1-3-8(9(7)11)12-4-6(14)5-13/h1-3,6,12-14H,4-5H2/t6-/m0/s1.
What are the key properties of (2S)-3-(3-chloro-2-fluoroanilino)propane-1,2-diol?
(2S)-3-(3-chloro-2-fluoroanilino)propane-1,2-diol has a molecular weight of 219.64 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3-chloro-2-fluoroanilino)propane-1,2-diol is sourced from PubChem (CID 61143077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).