1-(3-fluoropropyl)-2,3-dihydropyrrol-4-amine

C7H13FN2 — CID 164561324

IUPAC1-(3-fluoropropyl)-2,3-dihydropyrrol-4-amine
SMILESNC1=CN(CCCF)CC1
InChIInChI=1S/C7H13FN2/c8-3-1-4-10-5-2-7(9)6-10/h6H,1-5,9H2
InChIKeyFNJXVFZWIHMGTP-UHFFFAOYSA-N
MW144.19 g/mol
LogP0.85
Rot. Bonds3

About 1-(3-fluoropropyl)-2,3-dihydropyrrol-4-amine

1-(3-fluoropropyl)-2,3-dihydropyrrol-4-amine (PubChem CID 164561324) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-2,3-dihydropyrrol-4-amine.

Molecular Properties

Compound Name1-(3-fluoropropyl)-2,3-dihydropyrrol-4-amine
PubChem CID164561324
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name1-(3-fluoropropyl)-2,3-dihydropyrrol-4-amine
SMILESNC1=CN(CCCF)CC1
InChIInChI=1S/C7H13FN2/c8-3-1-4-10-5-2-7(9)6-10/h6H,1-5,9H2
InChIKeyFNJXVFZWIHMGTP-UHFFFAOYSA-N
XLogP0.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-2,3-dihydropyrrol-4-amine?
The IUPAC name of 1-(3-fluoropropyl)-2,3-dihydropyrrol-4-amine (CID 164561324) is 1-(3-fluoropropyl)-2,3-dihydropyrrol-4-amine.
What is the SMILES notation for 1-(3-fluoropropyl)-2,3-dihydropyrrol-4-amine?
The canonical SMILES for 1-(3-fluoropropyl)-2,3-dihydropyrrol-4-amine is NC1=CN(CCCF)CC1.
What is the InChIKey of 1-(3-fluoropropyl)-2,3-dihydropyrrol-4-amine?
The InChIKey is FNJXVFZWIHMGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2/c8-3-1-4-10-5-2-7(9)6-10/h6H,1-5,9H2.
What are the key properties of 1-(3-fluoropropyl)-2,3-dihydropyrrol-4-amine?
1-(3-fluoropropyl)-2,3-dihydropyrrol-4-amine has a molecular weight of 144.19 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-2,3-dihydropyrrol-4-amine is sourced from PubChem (CID 164561324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).