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

C9H11ClFNO — CID 112704196

IUPAC2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol
SMILESCNC(CO)c1cccc(Cl)c1F
InChIInChI=1S/C9H11ClFNO/c1-12-8(5-13)6-3-2-4-7(10)9(6)11/h2-4,8,12-13H,5H2,1H3
InChIKeyQPQIQMCDDYBRLS-UHFFFAOYSA-N
MW203.64 g/mol
LogP1.73
Rot. Bonds3

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

2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol (PubChem CID 112704196) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol
PubChem CID112704196
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol
SMILESCNC(CO)c1cccc(Cl)c1F
InChIInChI=1S/C9H11ClFNO/c1-12-8(5-13)6-3-2-4-7(10)9(6)11/h2-4,8,12-13H,5H2,1H3
InChIKeyQPQIQMCDDYBRLS-UHFFFAOYSA-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

(2R)-2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol
CID 130706318
2-(3-chloro-2-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 114488494
(2R)-2-(3-bromo-2-fluorophenyl)-2-(methylamino)ethanol
CID 131031091
(2R)-2-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 130642132
2-(2-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol
CID 114488475
1-(3-chloro-2-fluorophenyl)-N,4-dimethylpent-4-en-1-amine
CID 114474819
2-(4-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol
CID 114488490
(2R)-2-[[(1S)-1-(3-chloro-2-fluorophenyl)propyl]amino]propan-1-ol
CID 99636952
1-(3-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105406219
N-[1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]-2-methylpropane-2-sulfinamide
CID 172524574
2-(4-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 64713817
1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 64714352

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol (CID 112704196) is 2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol is CNC(CO)c1cccc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol?
The InChIKey is QPQIQMCDDYBRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c1-12-8(5-13)6-3-2-4-7(10)9(6)11/h2-4,8,12-13H,5H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol?
2-(3-chloro-2-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 2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 112704196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).