(1S)-1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]ethanamine

C11H13F2N — CID 29079347

IUPAC(1S)-1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]ethanamine
SMILESC[C@H](N)[C@H]1C[C@@H]1c1ccc(F)cc1F
InChIInChI=1S/C11H13F2N/c1-6(14)9-5-10(9)8-3-2-7(12)4-11(8)13/h2-4,6,9-10H,5,14H2,1H3/t6-,9+,10+/m0/s1
InChIKeyPYWFRYSSAZWFMH-WQGWLQIFSA-N
MW197.23 g/mol
LogP2.42
Rot. Bonds2

About (1S)-1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]ethanamine

(1S)-1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]ethanamine (PubChem CID 29079347) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is (1S)-1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]ethanamine
PubChem CID29079347
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name(1S)-1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]ethanamine
SMILESC[C@H](N)[C@H]1C[C@@H]1c1ccc(F)cc1F
InChIInChI=1S/C11H13F2N/c1-6(14)9-5-10(9)8-3-2-7(12)4-11(8)13/h2-4,6,9-10H,5,14H2,1H3/t6-,9+,10+/m0/s1
InChIKeyPYWFRYSSAZWFMH-WQGWLQIFSA-N
XLogP2.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]ethanamine?
The IUPAC name of (1S)-1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]ethanamine (CID 29079347) is (1S)-1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]ethanamine.
What is the SMILES notation for (1S)-1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]ethanamine?
The canonical SMILES for (1S)-1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]ethanamine is C[C@H](N)[C@H]1C[C@@H]1c1ccc(F)cc1F.
What is the InChIKey of (1S)-1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]ethanamine?
The InChIKey is PYWFRYSSAZWFMH-WQGWLQIFSA-N. The full InChI is InChI=1S/C11H13F2N/c1-6(14)9-5-10(9)8-3-2-7(12)4-11(8)13/h2-4,6,9-10H,5,14H2,1H3/t6-,9+,10+/m0/s1.
What are the key properties of (1S)-1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]ethanamine?
(1S)-1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]ethanamine has a molecular weight of 197.23 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 29079347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).