(2R)-2-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol

C9H11ClFNO — CID 130642132

IUPAC(2R)-2-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol
SMILESCN[C@@H](CO)c1cccc(F)c1Cl
InChIInChI=1S/C9H11ClFNO/c1-12-8(5-13)6-3-2-4-7(11)9(6)10/h2-4,8,12-13H,5H2,1H3/t8-/m0/s1
InChIKeyFMDFVNCSOLGTAV-QMMMGPOBSA-N
MW203.64 g/mol
LogP1.73
Rot. Bonds3

About (2R)-2-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol

(2R)-2-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol (PubChem CID 130642132) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is (2R)-2-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name(2R)-2-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol
PubChem CID130642132
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name(2R)-2-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol
SMILESCN[C@@H](CO)c1cccc(F)c1Cl
InChIInChI=1S/C9H11ClFNO/c1-12-8(5-13)6-3-2-4-7(11)9(6)10/h2-4,8,12-13H,5H2,1H3/t8-/m0/s1
InChIKeyFMDFVNCSOLGTAV-QMMMGPOBSA-N
XLogP1.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-2-chlorophenyl)-2-(methylamino)ethanol
CID 130041390
1-(2-chloro-3-fluorophenyl)-N,3-dimethylbut-3-en-1-amine
CID 105003778
1,2-bis(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032290
2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol
CID 112704196
(2R)-2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol
CID 130706318
1-(2-chloro-3-fluorophenyl)-N-methylpent-3-yn-1-amine
CID 115819172
(2R)-2-(3-bromo-2-fluorophenyl)-2-(methylamino)ethanol
CID 131031091
1-(2-chloro-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115809397
2-(2-chloro-3-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine
CID 105032442
1-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 83700875
1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032328
1-(2-chloro-3-fluorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030273

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol?
The IUPAC name of (2R)-2-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol (CID 130642132) is (2R)-2-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol.
What is the SMILES notation for (2R)-2-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol?
The canonical SMILES for (2R)-2-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol is CN[C@@H](CO)c1cccc(F)c1Cl.
What is the InChIKey of (2R)-2-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol?
The InChIKey is FMDFVNCSOLGTAV-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11ClFNO/c1-12-8(5-13)6-3-2-4-7(11)9(6)10/h2-4,8,12-13H,5H2,1H3/t8-/m0/s1.
What are the key properties of (2R)-2-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol?
(2R)-2-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol has a molecular weight of 203.64 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 130642132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).