[(2R)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid

C9H9ClFNO3 — CID 138544868

IUPAC[(2R)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid
SMILESO=C(O)NC[C@H](O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C9H9ClFNO3/c10-6-2-1-5(3-7(6)11)8(13)4-12-9(14)15/h1-3,8,12-13H,4H2,(H,14,15)/t8-/m0/s1
InChIKeyOWWGMPGDYWGUKN-QMMMGPOBSA-N
MW233.63 g/mol
LogP1.78
Rot. Bonds3

About [(2R)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid

[(2R)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid (PubChem CID 138544868) has the molecular formula C9H9ClFNO3 and a molecular weight of 233.63 g/mol. Its IUPAC name is [(2R)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid.

Molecular Properties

Compound Name[(2R)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid
PubChem CID138544868
Molecular FormulaC9H9ClFNO3
Molecular Weight233.63 g/mol
Exact Mass233.03
IUPAC Name[(2R)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid
SMILESO=C(O)NC[C@H](O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C9H9ClFNO3/c10-6-2-1-5(3-7(6)11)8(13)4-12-9(14)15/h1-3,8,12-13H,4H2,(H,14,15)/t8-/m0/s1
InChIKeyOWWGMPGDYWGUKN-QMMMGPOBSA-N
XLogP1.78
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.63
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid?
The IUPAC name of [(2R)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid (CID 138544868) is [(2R)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid.
What is the SMILES notation for [(2R)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid?
The canonical SMILES for [(2R)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid is O=C(O)NC[C@H](O)c1ccc(Cl)c(F)c1.
What is the InChIKey of [(2R)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid?
The InChIKey is OWWGMPGDYWGUKN-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H9ClFNO3/c10-6-2-1-5(3-7(6)11)8(13)4-12-9(14)15/h1-3,8,12-13H,4H2,(H,14,15)/t8-/m0/s1.
What are the key properties of [(2R)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid?
[(2R)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid has a molecular weight of 233.63 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]carbamic acid is sourced from PubChem (CID 138544868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).