3-(2,2,3,3-tetrafluoropropoxy)propanenitrile

C6H7F4NO — CID 15710355

IUPAC3-(2,2,3,3-tetrafluoropropoxy)propanenitrile
SMILESN#CCCOCC(F)(F)C(F)F
InChIInChI=1S/C6H7F4NO/c7-5(8)6(9,10)4-12-3-1-2-11/h5H,1,3-4H2
InChIKeyYCTOYAGSGMHUBL-UHFFFAOYSA-N
MW185.12 g/mol
LogP1.82
Rot. Bonds5

About 3-(2,2,3,3-tetrafluoropropoxy)propanenitrile

3-(2,2,3,3-tetrafluoropropoxy)propanenitrile (PubChem CID 15710355) has the molecular formula C6H7F4NO and a molecular weight of 185.12 g/mol. Its IUPAC name is 3-(2,2,3,3-tetrafluoropropoxy)propanenitrile.

Molecular Properties

Compound Name3-(2,2,3,3-tetrafluoropropoxy)propanenitrile
PubChem CID15710355
Molecular FormulaC6H7F4NO
Molecular Weight185.12 g/mol
Exact Mass185.05
IUPAC Name3-(2,2,3,3-tetrafluoropropoxy)propanenitrile
SMILESN#CCCOCC(F)(F)C(F)F
InChIInChI=1S/C6H7F4NO/c7-5(8)6(9,10)4-12-3-1-2-11/h5H,1,3-4H2
InChIKeyYCTOYAGSGMHUBL-UHFFFAOYSA-N
XLogP1.82
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.12
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3,3-tetrafluoropropoxy)propanenitrile?
The IUPAC name of 3-(2,2,3,3-tetrafluoropropoxy)propanenitrile (CID 15710355) is 3-(2,2,3,3-tetrafluoropropoxy)propanenitrile.
What is the SMILES notation for 3-(2,2,3,3-tetrafluoropropoxy)propanenitrile?
The canonical SMILES for 3-(2,2,3,3-tetrafluoropropoxy)propanenitrile is N#CCCOCC(F)(F)C(F)F.
What is the InChIKey of 3-(2,2,3,3-tetrafluoropropoxy)propanenitrile?
The InChIKey is YCTOYAGSGMHUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F4NO/c7-5(8)6(9,10)4-12-3-1-2-11/h5H,1,3-4H2.
What are the key properties of 3-(2,2,3,3-tetrafluoropropoxy)propanenitrile?
3-(2,2,3,3-tetrafluoropropoxy)propanenitrile has a molecular weight of 185.12 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3-tetrafluoropropoxy)propanenitrile is sourced from PubChem (CID 15710355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).