4,5,5-trifluoropentanenitrile

C5H6F3N — CID 84762482

IUPAC4,5,5-trifluoropentanenitrile
SMILESN#CCCC(F)C(F)F
InChIInChI=1S/C5H6F3N/c6-4(5(7)8)2-1-3-9/h4-5H,1-2H2
InChIKeyWXXJZBURVAEEEI-UHFFFAOYSA-N
MW137.10 g/mol
LogP1.89
Rot. Bonds3

About 4,5,5-trifluoropentanenitrile

4,5,5-trifluoropentanenitrile (PubChem CID 84762482) has the molecular formula C5H6F3N and a molecular weight of 137.10 g/mol. Its IUPAC name is 4,5,5-trifluoropentanenitrile.

Molecular Properties

Compound Name4,5,5-trifluoropentanenitrile
PubChem CID84762482
Molecular FormulaC5H6F3N
Molecular Weight137.10 g/mol
Exact Mass137.05
IUPAC Name4,5,5-trifluoropentanenitrile
SMILESN#CCCC(F)C(F)F
InChIInChI=1S/C5H6F3N/c6-4(5(7)8)2-1-3-9/h4-5H,1-2H2
InChIKeyWXXJZBURVAEEEI-UHFFFAOYSA-N
XLogP1.89
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.10
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,5,5-trifluoropentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methylheptanedinitrile
CID 12673956
(4R)-5,5,5-trifluoro-4-hydroxypentanenitrile
CID 10725545
undecane-1,3,6,9,11-pentacarbonitrile
CID 170446650
2-cyanoethyl(triethyl)phosphanium
CID 4524375
(2S)-2-hydroxypentanedinitrile
CID 98062050
4-chloro-4-iodobutanenitrile
CID 19927212
4-amino-4-hydroxybutanenitrile
CID 88688773
henicosanedinitrile
CID 87345062
dodecane-1,3,6,9,12-pentacarbonitrile
CID 170446647
7-(2-cyanoethyl)tridecanedinitrile
CID 122418945
(3S)-heptane-1,3,7-tricarbonitrile
CID 167132993
3-(1,2,3-trifluoropropoxy)propanenitrile
CID 175462226

Frequently Asked Questions

What is the IUPAC name of 4,5,5-trifluoropentanenitrile?
The IUPAC name of 4,5,5-trifluoropentanenitrile (CID 84762482) is 4,5,5-trifluoropentanenitrile.
What is the SMILES notation for 4,5,5-trifluoropentanenitrile?
The canonical SMILES for 4,5,5-trifluoropentanenitrile is N#CCCC(F)C(F)F.
What is the InChIKey of 4,5,5-trifluoropentanenitrile?
The InChIKey is WXXJZBURVAEEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N/c6-4(5(7)8)2-1-3-9/h4-5H,1-2H2.
What are the key properties of 4,5,5-trifluoropentanenitrile?
4,5,5-trifluoropentanenitrile has a molecular weight of 137.10 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5-trifluoropentanenitrile is sourced from PubChem (CID 84762482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).