N-fluoro-N-methylcyclopenta-1,3-dien-1-amine

C6H8FN — CID 167054534

IUPACN-fluoro-N-methylcyclopenta-1,3-dien-1-amine
SMILESCN(F)C1=CC=CC1
InChIInChI=1S/C6H8FN/c1-8(7)6-4-2-3-5-6/h2-4H,5H2,1H3
InChIKeyWFIHOLAFPFXGBP-UHFFFAOYSA-N
MW113.13 g/mol
LogP1.65
Rot. Bonds1

About N-fluoro-N-methylcyclopenta-1,3-dien-1-amine

N-fluoro-N-methylcyclopenta-1,3-dien-1-amine (PubChem CID 167054534) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is N-fluoro-N-methylcyclopenta-1,3-dien-1-amine.

Molecular Properties

Compound NameN-fluoro-N-methylcyclopenta-1,3-dien-1-amine
PubChem CID167054534
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC NameN-fluoro-N-methylcyclopenta-1,3-dien-1-amine
SMILESCN(F)C1=CC=CC1
InChIInChI=1S/C6H8FN/c1-8(7)6-4-2-3-5-6/h2-4H,5H2,1H3
InChIKeyWFIHOLAFPFXGBP-UHFFFAOYSA-N
XLogP1.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.13
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-N-methylcyclopenta-1,3-dien-1-amine?
The IUPAC name of N-fluoro-N-methylcyclopenta-1,3-dien-1-amine (CID 167054534) is N-fluoro-N-methylcyclopenta-1,3-dien-1-amine.
What is the SMILES notation for N-fluoro-N-methylcyclopenta-1,3-dien-1-amine?
The canonical SMILES for N-fluoro-N-methylcyclopenta-1,3-dien-1-amine is CN(F)C1=CC=CC1.
What is the InChIKey of N-fluoro-N-methylcyclopenta-1,3-dien-1-amine?
The InChIKey is WFIHOLAFPFXGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN/c1-8(7)6-4-2-3-5-6/h2-4H,5H2,1H3.
What are the key properties of N-fluoro-N-methylcyclopenta-1,3-dien-1-amine?
N-fluoro-N-methylcyclopenta-1,3-dien-1-amine has a molecular weight of 113.13 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-methylcyclopenta-1,3-dien-1-amine is sourced from PubChem (CID 167054534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).