[(1R,2S)-2-(aminomethyl)-2-(3-chloro-4-fluorophenyl)cyclopropyl]methanol

C11H13ClFNO — CID 68947425

IUPAC[(1R,2S)-2-(aminomethyl)-2-(3-chloro-4-fluorophenyl)cyclopropyl]methanol
SMILESNC[C@@]1(c2ccc(F)c(Cl)c2)C[C@H]1CO
InChIInChI=1S/C11H13ClFNO/c12-9-3-7(1-2-10(9)13)11(6-14)4-8(11)5-15/h1-3,8,15H,4-6,14H2/t8-,11+/m0/s1
InChIKeyQSLIQKYSHLSGGF-GZMMTYOYSA-N
MW229.68 g/mol
LogP1.69
Rot. Bonds3

About [(1R,2S)-2-(aminomethyl)-2-(3-chloro-4-fluorophenyl)cyclopropyl]methanol

[(1R,2S)-2-(aminomethyl)-2-(3-chloro-4-fluorophenyl)cyclopropyl]methanol (PubChem CID 68947425) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is [(1R,2S)-2-(aminomethyl)-2-(3-chloro-4-fluorophenyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(1R,2S)-2-(aminomethyl)-2-(3-chloro-4-fluorophenyl)cyclopropyl]methanol
PubChem CID68947425
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name[(1R,2S)-2-(aminomethyl)-2-(3-chloro-4-fluorophenyl)cyclopropyl]methanol
SMILESNC[C@@]1(c2ccc(F)c(Cl)c2)C[C@H]1CO
InChIInChI=1S/C11H13ClFNO/c12-9-3-7(1-2-10(9)13)11(6-14)4-8(11)5-15/h1-3,8,15H,4-6,14H2/t8-,11+/m0/s1
InChIKeyQSLIQKYSHLSGGF-GZMMTYOYSA-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 [(1R,2S)-2-(aminomethyl)-2-(3-chloro-4-fluorophenyl)cyclopropyl]methanol?
The IUPAC name of [(1R,2S)-2-(aminomethyl)-2-(3-chloro-4-fluorophenyl)cyclopropyl]methanol (CID 68947425) is [(1R,2S)-2-(aminomethyl)-2-(3-chloro-4-fluorophenyl)cyclopropyl]methanol.
What is the SMILES notation for [(1R,2S)-2-(aminomethyl)-2-(3-chloro-4-fluorophenyl)cyclopropyl]methanol?
The canonical SMILES for [(1R,2S)-2-(aminomethyl)-2-(3-chloro-4-fluorophenyl)cyclopropyl]methanol is NC[C@@]1(c2ccc(F)c(Cl)c2)C[C@H]1CO.
What is the InChIKey of [(1R,2S)-2-(aminomethyl)-2-(3-chloro-4-fluorophenyl)cyclopropyl]methanol?
The InChIKey is QSLIQKYSHLSGGF-GZMMTYOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c12-9-3-7(1-2-10(9)13)11(6-14)4-8(11)5-15/h1-3,8,15H,4-6,14H2/t8-,11+/m0/s1.
What are the key properties of [(1R,2S)-2-(aminomethyl)-2-(3-chloro-4-fluorophenyl)cyclopropyl]methanol?
[(1R,2S)-2-(aminomethyl)-2-(3-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 [(1R,2S)-2-(aminomethyl)-2-(3-chloro-4-fluorophenyl)cyclopropyl]methanol is sourced from PubChem (CID 68947425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).