butane;3-fluoropropanenitrile

C7H14FN — CID 176659815

IUPACbutane;3-fluoropropanenitrile
SMILESCCCC.N#CCCF
InChIInChI=1S/C4H10.C3H4FN/c1-3-4-2;4-2-1-3-5/h3-4H2,1-2H3;1-2H2
InChIKeyOGUONOOVKHEXDG-UHFFFAOYSA-N
MW131.19 g/mol
LogP2.68
Rot. Bonds2

About butane;3-fluoropropanenitrile

butane;3-fluoropropanenitrile (PubChem CID 176659815) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is butane;3-fluoropropanenitrile.

Molecular Properties

Compound Namebutane;3-fluoropropanenitrile
PubChem CID176659815
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Namebutane;3-fluoropropanenitrile
SMILESCCCC.N#CCCF
InChIInChI=1S/C4H10.C3H4FN/c1-3-4-2;4-2-1-3-5/h3-4H2,1-2H3;1-2H2
InChIKeyOGUONOOVKHEXDG-UHFFFAOYSA-N
XLogP2.68
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butane;3-fluoropropanenitrile?
The IUPAC name of butane;3-fluoropropanenitrile (CID 176659815) is butane;3-fluoropropanenitrile.
What is the SMILES notation for butane;3-fluoropropanenitrile?
The canonical SMILES for butane;3-fluoropropanenitrile is CCCC.N#CCCF.
What is the InChIKey of butane;3-fluoropropanenitrile?
The InChIKey is OGUONOOVKHEXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C3H4FN/c1-3-4-2;4-2-1-3-5/h3-4H2,1-2H3;1-2H2.
What are the key properties of butane;3-fluoropropanenitrile?
butane;3-fluoropropanenitrile has a molecular weight of 131.19 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;3-fluoropropanenitrile is sourced from PubChem (CID 176659815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).