[(2R)-2-(aminomethyl)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanol

C11H13ClFNO — CID 135193000

IUPAC[(2R)-2-(aminomethyl)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanol
SMILESNC[C@]1(c2ccc(F)cc2Cl)CC1CO
InChIInChI=1S/C11H13ClFNO/c12-10-3-8(13)1-2-9(10)11(6-14)4-7(11)5-15/h1-3,7,15H,4-6,14H2/t7?,11-/m1/s1
InChIKeyCPWMSBMIPBTOAW-PLNQYNMKSA-N
MW229.68 g/mol
LogP1.69
Rot. Bonds3

About [(2R)-2-(aminomethyl)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanol

[(2R)-2-(aminomethyl)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanol (PubChem CID 135193000) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is [(2R)-2-(aminomethyl)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(2R)-2-(aminomethyl)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanol
PubChem CID135193000
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name[(2R)-2-(aminomethyl)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanol
SMILESNC[C@]1(c2ccc(F)cc2Cl)CC1CO
InChIInChI=1S/C11H13ClFNO/c12-10-3-8(13)1-2-9(10)11(6-14)4-7(11)5-15/h1-3,7,15H,4-6,14H2/t7?,11-/m1/s1
InChIKeyCPWMSBMIPBTOAW-PLNQYNMKSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(aminomethyl)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanol?
The IUPAC name of [(2R)-2-(aminomethyl)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanol (CID 135193000) is [(2R)-2-(aminomethyl)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanol.
What is the SMILES notation for [(2R)-2-(aminomethyl)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanol?
The canonical SMILES for [(2R)-2-(aminomethyl)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanol is NC[C@]1(c2ccc(F)cc2Cl)CC1CO.
What is the InChIKey of [(2R)-2-(aminomethyl)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanol?
The InChIKey is CPWMSBMIPBTOAW-PLNQYNMKSA-N. The full InChI is InChI=1S/C11H13ClFNO/c12-10-3-8(13)1-2-9(10)11(6-14)4-7(11)5-15/h1-3,7,15H,4-6,14H2/t7?,11-/m1/s1.
What are the key properties of [(2R)-2-(aminomethyl)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanol?
[(2R)-2-(aminomethyl)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanol has a molecular weight of 229.68 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(aminomethyl)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanol is sourced from PubChem (CID 135193000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).