cyclopenten-1-yl-(2,3-difluorophenyl)methanamine

C12H13F2N — CID 62650882

IUPACcyclopenten-1-yl-(2,3-difluorophenyl)methanamine
SMILESNC(C1=CCCC1)c1cccc(F)c1F
InChIInChI=1S/C12H13F2N/c13-10-7-3-6-9(11(10)14)12(15)8-4-1-2-5-8/h3-4,6-7,12H,1-2,5,15H2
InChIKeyUOJRJAQADAOCTO-UHFFFAOYSA-N
MW209.24 g/mol
LogP3.07
Rot. Bonds2

About cyclopenten-1-yl-(2,3-difluorophenyl)methanamine

cyclopenten-1-yl-(2,3-difluorophenyl)methanamine (PubChem CID 62650882) has the molecular formula C12H13F2N and a molecular weight of 209.24 g/mol. Its IUPAC name is cyclopenten-1-yl-(2,3-difluorophenyl)methanamine.

Molecular Properties

Compound Namecyclopenten-1-yl-(2,3-difluorophenyl)methanamine
PubChem CID62650882
Molecular FormulaC12H13F2N
Molecular Weight209.24 g/mol
Exact Mass209.10
IUPAC Namecyclopenten-1-yl-(2,3-difluorophenyl)methanamine
SMILESNC(C1=CCCC1)c1cccc(F)c1F
InChIInChI=1S/C12H13F2N/c13-10-7-3-6-9(11(10)14)12(15)8-4-1-2-5-8/h3-4,6-7,12H,1-2,5,15H2
InChIKeyUOJRJAQADAOCTO-UHFFFAOYSA-N
XLogP3.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1E)-cycloocten-1-yl]-(2-fluorophenyl)methanamine
CID 106652892
(2-bromo-3-methylphenyl)-(cyclopenten-1-yl)methanamine
CID 107982009
cyclohepten-1-yl-(2,5-difluorophenyl)methanamine
CID 106652966
cyclohexen-1-yl-(2-fluoro-6-methoxyphenyl)methanamine
CID 65433627
(4-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methanamine
CID 55034229
(1R)-1-(2,3-difluorophenyl)-2-fluoroethanamine
CID 130740137
(2-bromo-3-methylphenyl)-(cyclohepten-1-yl)methanamine
CID 107982012
(5-bromo-2-fluorophenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106654768
(3,5-dibromophenyl)-(2,3-difluorophenyl)methanamine
CID 114023013
1-(cyclopenten-1-yl)-2-(2-fluorophenyl)ethanamine
CID 62078868
(2-bromophenyl)-(2,3-difluorophenyl)methanamine
CID 63989436
cyclohexen-1-yl-(5-fluoro-2-methylphenyl)methanamine
CID 63047741

Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-(2,3-difluorophenyl)methanamine?
The IUPAC name of cyclopenten-1-yl-(2,3-difluorophenyl)methanamine (CID 62650882) is cyclopenten-1-yl-(2,3-difluorophenyl)methanamine.
What is the SMILES notation for cyclopenten-1-yl-(2,3-difluorophenyl)methanamine?
The canonical SMILES for cyclopenten-1-yl-(2,3-difluorophenyl)methanamine is NC(C1=CCCC1)c1cccc(F)c1F.
What is the InChIKey of cyclopenten-1-yl-(2,3-difluorophenyl)methanamine?
The InChIKey is UOJRJAQADAOCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N/c13-10-7-3-6-9(11(10)14)12(15)8-4-1-2-5-8/h3-4,6-7,12H,1-2,5,15H2.
What are the key properties of cyclopenten-1-yl-(2,3-difluorophenyl)methanamine?
cyclopenten-1-yl-(2,3-difluorophenyl)methanamine has a molecular weight of 209.24 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-(2,3-difluorophenyl)methanamine is sourced from PubChem (CID 62650882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).