4-[(1R)-1-aminoprop-2-enyl]-2,5-difluoroaniline

C9H10F2N2 — CID 130653523

IUPAC4-[(1R)-1-aminoprop-2-enyl]-2,5-difluoroaniline
SMILESC=C[C@@H](N)c1cc(F)c(N)cc1F
InChIInChI=1S/C9H10F2N2/c1-2-8(12)5-3-7(11)9(13)4-6(5)10/h2-4,8H,1,12-13H2/t8-/m1/s1
InChIKeyRQOLSAZLCBGSMF-MRVPVSSYSA-N
MW184.19 g/mol
LogP1.73
Rot. Bonds2

About 4-[(1R)-1-aminoprop-2-enyl]-2,5-difluoroaniline

4-[(1R)-1-aminoprop-2-enyl]-2,5-difluoroaniline (PubChem CID 130653523) has the molecular formula C9H10F2N2 and a molecular weight of 184.19 g/mol. Its IUPAC name is 4-[(1R)-1-aminoprop-2-enyl]-2,5-difluoroaniline.

Molecular Properties

Compound Name4-[(1R)-1-aminoprop-2-enyl]-2,5-difluoroaniline
PubChem CID130653523
Molecular FormulaC9H10F2N2
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name4-[(1R)-1-aminoprop-2-enyl]-2,5-difluoroaniline
SMILESC=C[C@@H](N)c1cc(F)c(N)cc1F
InChIInChI=1S/C9H10F2N2/c1-2-8(12)5-3-7(11)9(13)4-6(5)10/h2-4,8H,1,12-13H2/t8-/m1/s1
InChIKeyRQOLSAZLCBGSMF-MRVPVSSYSA-N
XLogP1.73
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(2,4,5-trifluorophenyl)prop-2-en-1-amine
CID 55277971
4-[(1S)-1-aminoprop-2-enyl]-2-chloro-5-fluoroaniline
CID 130614384
1-(2,5-difluorophenyl)prop-2-en-1-amine
CID 55282989
1-(2,4-difluorophenyl)prop-2-en-1-amine
CID 55283550
(1R)-1-(2,5-difluorophenyl)prop-2-en-1-amine
CID 55278051
2-amino-6-[(1S)-1-aminoprop-2-enyl]-4-fluorophenol
CID 130804785
(1R)-1-(2-fluoro-5-iodophenyl)prop-2-en-1-amine;hydrochloride
CID 171216180
(1S)-1-(2-fluoro-5-iodophenyl)prop-2-en-1-amine;hydrochloride
CID 171235814
(1R)-1-(2,3,5-trifluorophenyl)prop-2-en-1-amine
CID 55278217
2-amino-6-[(1R)-1-aminoprop-2-enyl]-4-fluorophenol;hydrochloride
CID 171257243
2-(1-aminoprop-2-enyl)-4-chloroaniline
CID 55283411
3-[(1R)-1-aminoprop-2-enyl]-4-fluorobenzonitrile
CID 55273925

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoprop-2-enyl]-2,5-difluoroaniline?
The IUPAC name of 4-[(1R)-1-aminoprop-2-enyl]-2,5-difluoroaniline (CID 130653523) is 4-[(1R)-1-aminoprop-2-enyl]-2,5-difluoroaniline.
What is the SMILES notation for 4-[(1R)-1-aminoprop-2-enyl]-2,5-difluoroaniline?
The canonical SMILES for 4-[(1R)-1-aminoprop-2-enyl]-2,5-difluoroaniline is C=C[C@@H](N)c1cc(F)c(N)cc1F.
What is the InChIKey of 4-[(1R)-1-aminoprop-2-enyl]-2,5-difluoroaniline?
The InChIKey is RQOLSAZLCBGSMF-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10F2N2/c1-2-8(12)5-3-7(11)9(13)4-6(5)10/h2-4,8H,1,12-13H2/t8-/m1/s1.
What are the key properties of 4-[(1R)-1-aminoprop-2-enyl]-2,5-difluoroaniline?
4-[(1R)-1-aminoprop-2-enyl]-2,5-difluoroaniline has a molecular weight of 184.19 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminoprop-2-enyl]-2,5-difluoroaniline is sourced from PubChem (CID 130653523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).