[(1R,2S)-1-(aminomethyl)-2-(2-chloro-6-fluorophenyl)cyclopropyl]methanol

C11H13ClFNO — CID 95002743

IUPAC[(1R,2S)-1-(aminomethyl)-2-(2-chloro-6-fluorophenyl)cyclopropyl]methanol
SMILESNC[C@@]1(CO)C[C@@H]1c1c(F)cccc1Cl
InChIInChI=1S/C11H13ClFNO/c12-8-2-1-3-9(13)10(8)7-4-11(7,5-14)6-15/h1-3,7,15H,4-6,14H2/t7-,11-/m1/s1
InChIKeyOOIYCSVCKAYPSO-RDDDGLTNSA-N
MW229.68 g/mol
LogP1.90
Rot. Bonds3

About [(1R,2S)-1-(aminomethyl)-2-(2-chloro-6-fluorophenyl)cyclopropyl]methanol

[(1R,2S)-1-(aminomethyl)-2-(2-chloro-6-fluorophenyl)cyclopropyl]methanol (PubChem CID 95002743) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is [(1R,2S)-1-(aminomethyl)-2-(2-chloro-6-fluorophenyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2S)-1-(aminomethyl)-2-(2-chloro-6-fluorophenyl)cyclopropyl]methanol
PubChem CID95002743
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name[(1R,2S)-1-(aminomethyl)-2-(2-chloro-6-fluorophenyl)cyclopropyl]methanol
SMILESNC[C@@]1(CO)C[C@@H]1c1c(F)cccc1Cl
InChIInChI=1S/C11H13ClFNO/c12-8-2-1-3-9(13)10(8)7-4-11(7,5-14)6-15/h1-3,7,15H,4-6,14H2/t7-,11-/m1/s1
InChIKeyOOIYCSVCKAYPSO-RDDDGLTNSA-N
XLogP1.90
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-1-(aminomethyl)-2-(2-chloro-6-fluorophenyl)cyclopropyl]methanol?
The IUPAC name of [(1R,2S)-1-(aminomethyl)-2-(2-chloro-6-fluorophenyl)cyclopropyl]methanol (CID 95002743) is [(1R,2S)-1-(aminomethyl)-2-(2-chloro-6-fluorophenyl)cyclopropyl]methanol.
What is the SMILES notation for [(1R,2S)-1-(aminomethyl)-2-(2-chloro-6-fluorophenyl)cyclopropyl]methanol?
The canonical SMILES for [(1R,2S)-1-(aminomethyl)-2-(2-chloro-6-fluorophenyl)cyclopropyl]methanol is NC[C@@]1(CO)C[C@@H]1c1c(F)cccc1Cl.
What is the InChIKey of [(1R,2S)-1-(aminomethyl)-2-(2-chloro-6-fluorophenyl)cyclopropyl]methanol?
The InChIKey is OOIYCSVCKAYPSO-RDDDGLTNSA-N. The full InChI is InChI=1S/C11H13ClFNO/c12-8-2-1-3-9(13)10(8)7-4-11(7,5-14)6-15/h1-3,7,15H,4-6,14H2/t7-,11-/m1/s1.
What are the key properties of [(1R,2S)-1-(aminomethyl)-2-(2-chloro-6-fluorophenyl)cyclopropyl]methanol?
[(1R,2S)-1-(aminomethyl)-2-(2-chloro-6-fluorophenyl)cyclopropyl]methanol has a molecular weight of 229.68 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1-(aminomethyl)-2-(2-chloro-6-fluorophenyl)cyclopropyl]methanol is sourced from PubChem (CID 95002743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).