N-(3-fluoropropyl)pyrrol-1-amine

C7H11FN2 — CID 81106231

IUPACN-(3-fluoropropyl)pyrrol-1-amine
SMILESFCCCNn1cccc1
InChIInChI=1S/C7H11FN2/c8-4-3-5-9-10-6-1-2-7-10/h1-2,6-7,9H,3-5H2
InChIKeyWRBQICJJQUANCE-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.39
Rot. Bonds4

About N-(3-fluoropropyl)pyrrol-1-amine

N-(3-fluoropropyl)pyrrol-1-amine (PubChem CID 81106231) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is N-(3-fluoropropyl)pyrrol-1-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)pyrrol-1-amine
PubChem CID81106231
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC NameN-(3-fluoropropyl)pyrrol-1-amine
SMILESFCCCNn1cccc1
InChIInChI=1S/C7H11FN2/c8-4-3-5-9-10-6-1-2-7-10/h1-2,6-7,9H,3-5H2
InChIKeyWRBQICJJQUANCE-UHFFFAOYSA-N
XLogP1.39
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)pyrrol-1-amine?
The IUPAC name of N-(3-fluoropropyl)pyrrol-1-amine (CID 81106231) is N-(3-fluoropropyl)pyrrol-1-amine.
What is the SMILES notation for N-(3-fluoropropyl)pyrrol-1-amine?
The canonical SMILES for N-(3-fluoropropyl)pyrrol-1-amine is FCCCNn1cccc1.
What is the InChIKey of N-(3-fluoropropyl)pyrrol-1-amine?
The InChIKey is WRBQICJJQUANCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2/c8-4-3-5-9-10-6-1-2-7-10/h1-2,6-7,9H,3-5H2.
What are the key properties of N-(3-fluoropropyl)pyrrol-1-amine?
N-(3-fluoropropyl)pyrrol-1-amine has a molecular weight of 142.18 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)pyrrol-1-amine is sourced from PubChem (CID 81106231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).