5-(cyclopenten-1-yl)-4-fluoro-2-methylaniline

C12H14FN — CID 130534951

IUPAC5-(cyclopenten-1-yl)-4-fluoro-2-methylaniline
SMILESCc1cc(F)c(C2=CCCC2)cc1N
InChIInChI=1S/C12H14FN/c1-8-6-11(13)10(7-12(8)14)9-4-2-3-5-9/h4,6-7H,2-3,5,14H2,1H3
InChIKeyPPALCACLDJWNMM-UHFFFAOYSA-N
MW191.25 g/mol
LogP3.28
Rot. Bonds1

About 5-(cyclopenten-1-yl)-4-fluoro-2-methylaniline

5-(cyclopenten-1-yl)-4-fluoro-2-methylaniline (PubChem CID 130534951) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 5-(cyclopenten-1-yl)-4-fluoro-2-methylaniline.

Molecular Properties

Compound Name5-(cyclopenten-1-yl)-4-fluoro-2-methylaniline
PubChem CID130534951
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name5-(cyclopenten-1-yl)-4-fluoro-2-methylaniline
SMILESCc1cc(F)c(C2=CCCC2)cc1N
InChIInChI=1S/C12H14FN/c1-8-6-11(13)10(7-12(8)14)9-4-2-3-5-9/h4,6-7H,2-3,5,14H2,1H3
InChIKeyPPALCACLDJWNMM-UHFFFAOYSA-N
XLogP3.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopenten-1-yl)-4-fluoro-2-methylaniline?
The IUPAC name of 5-(cyclopenten-1-yl)-4-fluoro-2-methylaniline (CID 130534951) is 5-(cyclopenten-1-yl)-4-fluoro-2-methylaniline.
What is the SMILES notation for 5-(cyclopenten-1-yl)-4-fluoro-2-methylaniline?
The canonical SMILES for 5-(cyclopenten-1-yl)-4-fluoro-2-methylaniline is Cc1cc(F)c(C2=CCCC2)cc1N.
What is the InChIKey of 5-(cyclopenten-1-yl)-4-fluoro-2-methylaniline?
The InChIKey is PPALCACLDJWNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c1-8-6-11(13)10(7-12(8)14)9-4-2-3-5-9/h4,6-7H,2-3,5,14H2,1H3.
What are the key properties of 5-(cyclopenten-1-yl)-4-fluoro-2-methylaniline?
5-(cyclopenten-1-yl)-4-fluoro-2-methylaniline has a molecular weight of 191.25 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopenten-1-yl)-4-fluoro-2-methylaniline is sourced from PubChem (CID 130534951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).