1-[2-(2,5-difluorophenyl)cyclopropyl]ethanamine

C11H13F2N — CID 43312619

IUPAC1-[2-(2,5-difluorophenyl)cyclopropyl]ethanamine
SMILESCC(N)C1CC1c1cc(F)ccc1F
InChIInChI=1S/C11H13F2N/c1-6(14)8-5-9(8)10-4-7(12)2-3-11(10)13/h2-4,6,8-9H,5,14H2,1H3
InChIKeyZNUWJTXZLSUADO-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.42
Rot. Bonds2

About 1-[2-(2,5-difluorophenyl)cyclopropyl]ethanamine

1-[2-(2,5-difluorophenyl)cyclopropyl]ethanamine (PubChem CID 43312619) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-[2-(2,5-difluorophenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[2-(2,5-difluorophenyl)cyclopropyl]ethanamine
PubChem CID43312619
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name1-[2-(2,5-difluorophenyl)cyclopropyl]ethanamine
SMILESCC(N)C1CC1c1cc(F)ccc1F
InChIInChI=1S/C11H13F2N/c1-6(14)8-5-9(8)10-4-7(12)2-3-11(10)13/h2-4,6,8-9H,5,14H2,1H3
InChIKeyZNUWJTXZLSUADO-UHFFFAOYSA-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 1-[2-(2,5-difluorophenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[2-(2,5-difluorophenyl)cyclopropyl]ethanamine (CID 43312619) is 1-[2-(2,5-difluorophenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[2-(2,5-difluorophenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[2-(2,5-difluorophenyl)cyclopropyl]ethanamine is CC(N)C1CC1c1cc(F)ccc1F.
What is the InChIKey of 1-[2-(2,5-difluorophenyl)cyclopropyl]ethanamine?
The InChIKey is ZNUWJTXZLSUADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/c1-6(14)8-5-9(8)10-4-7(12)2-3-11(10)13/h2-4,6,8-9H,5,14H2,1H3.
What are the key properties of 1-[2-(2,5-difluorophenyl)cyclopropyl]ethanamine?
1-[2-(2,5-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 1-[2-(2,5-difluorophenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 43312619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).