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

C11H13F2N — CID 93284927

IUPAC(1S)-1-[(1R,2S)-2-(2,5-difluorophenyl)cyclopropyl]ethanamine
SMILESC[C@H](N)[C@@H]1C[C@@H]1c1cc(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/t6-,8-,9-/m0/s1
InChIKeyZNUWJTXZLSUADO-XVYDVKMFSA-N
MW197.23 g/mol
LogP2.42
Rot. Bonds2

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

(1S)-1-[(1R,2S)-2-(2,5-difluorophenyl)cyclopropyl]ethanamine (PubChem CID 93284927) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is (1S)-1-[(1R,2S)-2-(2,5-difluorophenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[(1R,2S)-2-(2,5-difluorophenyl)cyclopropyl]ethanamine
PubChem CID93284927
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name(1S)-1-[(1R,2S)-2-(2,5-difluorophenyl)cyclopropyl]ethanamine
SMILESC[C@H](N)[C@@H]1C[C@@H]1c1cc(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/t6-,8-,9-/m0/s1
InChIKeyZNUWJTXZLSUADO-XVYDVKMFSA-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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Related Compounds

1-[2-(2,5-difluorophenyl)cyclopropyl]ethanamine
CID 43312619
(1S)-1-[(1S,2R)-2-(2,4-difluorophenyl)cyclopropyl]ethanamine
CID 124747142
(1S)-1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]ethanamine
CID 29079347
1,4-difluoro-2-[(1S,2R)-2-propan-2-ylcyclopropyl]benzene
CID 167340119
(1S)-1-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]ethanamine
CID 28912438
(1R)-1-[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]ethanamine
CID 28912124
(1S)-1-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]ethanamine
CID 124745003
(1S)-1-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]ethanamine
CID 29079515
1-[2-(4-fluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 62122616
2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexan-1-amine
CID 81013651
(1R)-1-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]ethanamine
CID 29079485
N-[[2-(2,5-difluorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62708759

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1R,2S)-2-(2,5-difluorophenyl)cyclopropyl]ethanamine?
The IUPAC name of (1S)-1-[(1R,2S)-2-(2,5-difluorophenyl)cyclopropyl]ethanamine (CID 93284927) is (1S)-1-[(1R,2S)-2-(2,5-difluorophenyl)cyclopropyl]ethanamine.
What is the SMILES notation for (1S)-1-[(1R,2S)-2-(2,5-difluorophenyl)cyclopropyl]ethanamine?
The canonical SMILES for (1S)-1-[(1R,2S)-2-(2,5-difluorophenyl)cyclopropyl]ethanamine is C[C@H](N)[C@@H]1C[C@@H]1c1cc(F)ccc1F.
What is the InChIKey of (1S)-1-[(1R,2S)-2-(2,5-difluorophenyl)cyclopropyl]ethanamine?
The InChIKey is ZNUWJTXZLSUADO-XVYDVKMFSA-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/t6-,8-,9-/m0/s1.
What are the key properties of (1S)-1-[(1R,2S)-2-(2,5-difluorophenyl)cyclopropyl]ethanamine?
(1S)-1-[(1R,2S)-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 (1S)-1-[(1R,2S)-2-(2,5-difluorophenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 93284927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).