2-(1,3,3,3-tetrafluoropropoxy)propanenitrile

C6H7F4NO — CID 57350365

IUPAC2-(1,3,3,3-tetrafluoropropoxy)propanenitrile
SMILESCC(C#N)OC(F)CC(F)(F)F
InChIInChI=1S/C6H7F4NO/c1-4(3-11)12-5(7)2-6(8,9)10/h4-5H,2H2,1H3
InChIKeyDCTXMAXRSMIGNI-UHFFFAOYSA-N
MW185.12 g/mol
LogP2.16
Rot. Bonds3

About 2-(1,3,3,3-tetrafluoropropoxy)propanenitrile

2-(1,3,3,3-tetrafluoropropoxy)propanenitrile (PubChem CID 57350365) has the molecular formula C6H7F4NO and a molecular weight of 185.12 g/mol. Its IUPAC name is 2-(1,3,3,3-tetrafluoropropoxy)propanenitrile.

Molecular Properties

Compound Name2-(1,3,3,3-tetrafluoropropoxy)propanenitrile
PubChem CID57350365
Molecular FormulaC6H7F4NO
Molecular Weight185.12 g/mol
Exact Mass185.05
IUPAC Name2-(1,3,3,3-tetrafluoropropoxy)propanenitrile
SMILESCC(C#N)OC(F)CC(F)(F)F
InChIInChI=1S/C6H7F4NO/c1-4(3-11)12-5(7)2-6(8,9)10/h4-5H,2H2,1H3
InChIKeyDCTXMAXRSMIGNI-UHFFFAOYSA-N
XLogP2.16
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.12
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,3,3-tetrafluoropropoxy)propanenitrile?
The IUPAC name of 2-(1,3,3,3-tetrafluoropropoxy)propanenitrile (CID 57350365) is 2-(1,3,3,3-tetrafluoropropoxy)propanenitrile.
What is the SMILES notation for 2-(1,3,3,3-tetrafluoropropoxy)propanenitrile?
The canonical SMILES for 2-(1,3,3,3-tetrafluoropropoxy)propanenitrile is CC(C#N)OC(F)CC(F)(F)F.
What is the InChIKey of 2-(1,3,3,3-tetrafluoropropoxy)propanenitrile?
The InChIKey is DCTXMAXRSMIGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F4NO/c1-4(3-11)12-5(7)2-6(8,9)10/h4-5H,2H2,1H3.
What are the key properties of 2-(1,3,3,3-tetrafluoropropoxy)propanenitrile?
2-(1,3,3,3-tetrafluoropropoxy)propanenitrile has a molecular weight of 185.12 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,3,3-tetrafluoropropoxy)propanenitrile is sourced from PubChem (CID 57350365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).