3-[diethyl(fluoro)-λ4-sulfanyl]propanenitrile

C7H14FNS — CID 131971316

IUPAC3-[diethyl(fluoro)-λ4-sulfanyl]propanenitrile
SMILESCCS(F)(CC)CCC#N
InChIInChI=1S/C7H14FNS/c1-3-10(8,4-2)7-5-6-9/h3-5,7H2,1-2H3
InChIKeyNPHLEWIAFUDAPO-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.63
Rot. Bonds4

About 3-[diethyl(fluoro)-λ4-sulfanyl]propanenitrile

3-[diethyl(fluoro)-λ4-sulfanyl]propanenitrile (PubChem CID 131971316) has the molecular formula C7H14FNS and a molecular weight of 163.26 g/mol. Its IUPAC name is 3-[diethyl(fluoro)-λ4-sulfanyl]propanenitrile.

Molecular Properties

Compound Name3-[diethyl(fluoro)-λ4-sulfanyl]propanenitrile
PubChem CID131971316
Molecular FormulaC7H14FNS
Molecular Weight163.26 g/mol
Exact Mass163.08
IUPAC Name3-[diethyl(fluoro)-λ4-sulfanyl]propanenitrile
SMILESCCS(F)(CC)CCC#N
InChIInChI=1S/C7H14FNS/c1-3-10(8,4-2)7-5-6-9/h3-5,7H2,1-2H3
InChIKeyNPHLEWIAFUDAPO-UHFFFAOYSA-N
XLogP2.63
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[diethyl(fluoro)-λ4-sulfanyl]propanenitrile?
The IUPAC name of 3-[diethyl(fluoro)-λ4-sulfanyl]propanenitrile (CID 131971316) is 3-[diethyl(fluoro)-λ4-sulfanyl]propanenitrile.
What is the SMILES notation for 3-[diethyl(fluoro)-λ4-sulfanyl]propanenitrile?
The canonical SMILES for 3-[diethyl(fluoro)-λ4-sulfanyl]propanenitrile is CCS(F)(CC)CCC#N.
What is the InChIKey of 3-[diethyl(fluoro)-λ4-sulfanyl]propanenitrile?
The InChIKey is NPHLEWIAFUDAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNS/c1-3-10(8,4-2)7-5-6-9/h3-5,7H2,1-2H3.
What are the key properties of 3-[diethyl(fluoro)-λ4-sulfanyl]propanenitrile?
3-[diethyl(fluoro)-λ4-sulfanyl]propanenitrile has a molecular weight of 163.26 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethyl(fluoro)-λ4-sulfanyl]propanenitrile is sourced from PubChem (CID 131971316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).