3,3,3-trifluoro-2-(fluoromethoxy)propanenitrile

C4H3F4NO — CID 14885168

IUPAC3,3,3-trifluoro-2-(fluoromethoxy)propanenitrile
SMILESN#CC(OCF)C(F)(F)F
InChIInChI=1S/C4H3F4NO/c5-2-10-3(1-9)4(6,7)8/h3H,2H2
InChIKeyMHMANSUNBWNZMJ-UHFFFAOYSA-N
MW157.07 g/mol
LogP1.38
Rot. Bonds2

About 3,3,3-trifluoro-2-(fluoromethoxy)propanenitrile

3,3,3-trifluoro-2-(fluoromethoxy)propanenitrile (PubChem CID 14885168) has the molecular formula C4H3F4NO and a molecular weight of 157.07 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(fluoromethoxy)propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(fluoromethoxy)propanenitrile
PubChem CID14885168
Molecular FormulaC4H3F4NO
Molecular Weight157.07 g/mol
Exact Mass157.02
IUPAC Name3,3,3-trifluoro-2-(fluoromethoxy)propanenitrile
SMILESN#CC(OCF)C(F)(F)F
InChIInChI=1S/C4H3F4NO/c5-2-10-3(1-9)4(6,7)8/h3H,2H2
InChIKeyMHMANSUNBWNZMJ-UHFFFAOYSA-N
XLogP1.38
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.07
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2,3,3-Tetrafluoropropoxy)propionitrile
CID 15710355
2-(2,2,2-Trifluoroethoxy)propanenitrile
CID 61693457
3-(2,2,3,3,3-Pentafluoropropoxy)propanitrile
CID 71651757
4,4,4-Trifluoro-3-methoxybutanenitrile
CID 130737330
3-(1,1,1,2,3,3,3-Heptafluoropropan-2-yloxy)propanenitrile
CID 139685061
2-Ethoxy-3,3,3-trifluoropropanenitrile
CID 153697102
2-(Trifluoromethoxy)propanenitrile
CID 154102829
3-Fluoro-2-(trifluoromethoxy)propanenitrile
CID 174927993
2-(1,2,2-Trifluoroethoxy)propanenitrile
CID 175378948
3-(Trifluoromethoxy)butanenitrile
CID 175437121
3-(1,1,2,3,3-Pentafluoropropoxy)propanenitrile
CID 175462203
3-(1,2,3,3-Tetrafluoropropoxy)propanenitrile
CID 175462208

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(fluoromethoxy)propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-(fluoromethoxy)propanenitrile (CID 14885168) is 3,3,3-trifluoro-2-(fluoromethoxy)propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-(fluoromethoxy)propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-(fluoromethoxy)propanenitrile is N#CC(OCF)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(fluoromethoxy)propanenitrile?
The InChIKey is MHMANSUNBWNZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F4NO/c5-2-10-3(1-9)4(6,7)8/h3H,2H2.
What are the key properties of 3,3,3-trifluoro-2-(fluoromethoxy)propanenitrile?
3,3,3-trifluoro-2-(fluoromethoxy)propanenitrile has a molecular weight of 157.07 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(fluoromethoxy)propanenitrile is sourced from PubChem (CID 14885168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).