(1R)-1-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]ethanamine

C11H13F2N — CID 29079485

IUPAC(1R)-1-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]ethanamine
SMILESC[C@@H](N)[C@@H]1C[C@@H]1c1c(F)cccc1F
InChIInChI=1S/C11H13F2N/c1-6(14)7-5-8(7)11-9(12)3-2-4-10(11)13/h2-4,6-8H,5,14H2,1H3/t6-,7+,8+/m1/s1
InChIKeyFVXQQOGSRMRBLM-CSMHCCOUSA-N
MW197.23 g/mol
LogP2.42
Rot. Bonds2

About (1R)-1-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]ethanamine

(1R)-1-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]ethanamine (PubChem CID 29079485) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is (1R)-1-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]ethanamine
PubChem CID29079485
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name(1R)-1-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]ethanamine
SMILESC[C@@H](N)[C@@H]1C[C@@H]1c1c(F)cccc1F
InChIInChI=1S/C11H13F2N/c1-6(14)7-5-8(7)11-9(12)3-2-4-10(11)13/h2-4,6-8H,5,14H2,1H3/t6-,7+,8+/m1/s1
InChIKeyFVXQQOGSRMRBLM-CSMHCCOUSA-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 (1R)-1-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]ethanamine?
The IUPAC name of (1R)-1-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]ethanamine (CID 29079485) is (1R)-1-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]ethanamine.
What is the SMILES notation for (1R)-1-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]ethanamine?
The canonical SMILES for (1R)-1-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]ethanamine is C[C@@H](N)[C@@H]1C[C@@H]1c1c(F)cccc1F.
What is the InChIKey of (1R)-1-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]ethanamine?
The InChIKey is FVXQQOGSRMRBLM-CSMHCCOUSA-N. The full InChI is InChI=1S/C11H13F2N/c1-6(14)7-5-8(7)11-9(12)3-2-4-10(11)13/h2-4,6-8H,5,14H2,1H3/t6-,7+,8+/m1/s1.
What are the key properties of (1R)-1-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]ethanamine?
(1R)-1-[(1R,2S)-2-(2,6-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 (1R)-1-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 29079485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).