3-(3-fluoropropoxy)propanenitrile

C6H10FNO — CID 56776455

IUPAC3-(3-fluoropropoxy)propanenitrile
SMILESN#CCCOCCCF
InChIInChI=1S/C6H10FNO/c7-3-1-5-9-6-2-4-8/h1-3,5-6H2
InChIKeyGHRWONNZVKVEOZ-UHFFFAOYSA-N
MW131.15 g/mol
LogP1.28
Rot. Bonds5

About 3-(3-fluoropropoxy)propanenitrile

3-(3-fluoropropoxy)propanenitrile (PubChem CID 56776455) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 3-(3-fluoropropoxy)propanenitrile.

Molecular Properties

Compound Name3-(3-fluoropropoxy)propanenitrile
PubChem CID56776455
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name3-(3-fluoropropoxy)propanenitrile
SMILESN#CCCOCCCF
InChIInChI=1S/C6H10FNO/c7-3-1-5-9-6-2-4-8/h1-3,5-6H2
InChIKeyGHRWONNZVKVEOZ-UHFFFAOYSA-N
XLogP1.28
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 51.28
H-Bond Donors ≤ 50
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 3-(3-fluoropropoxy)propanenitrile?
The IUPAC name of 3-(3-fluoropropoxy)propanenitrile (CID 56776455) is 3-(3-fluoropropoxy)propanenitrile.
What is the SMILES notation for 3-(3-fluoropropoxy)propanenitrile?
The canonical SMILES for 3-(3-fluoropropoxy)propanenitrile is N#CCCOCCCF.
What is the InChIKey of 3-(3-fluoropropoxy)propanenitrile?
The InChIKey is GHRWONNZVKVEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c7-3-1-5-9-6-2-4-8/h1-3,5-6H2.
What are the key properties of 3-(3-fluoropropoxy)propanenitrile?
3-(3-fluoropropoxy)propanenitrile has a molecular weight of 131.15 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropoxy)propanenitrile is sourced from PubChem (CID 56776455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).