4-[difluoro(methoxy)methyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentanenitrile

C8H7F8NO — CID 25018322

IUPAC4-[difluoro(methoxy)methyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentanenitrile
SMILESCOC(F)(F)C(CCC#N)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7F8NO/c1-18-8(15,16)5(3-2-4-17,6(9,10)11)7(12,13)14/h2-3H2,1H3
InChIKeyAHZLOJBZQNQXLK-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.64
Rot. Bonds4

About 4-[difluoro(methoxy)methyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentanenitrile

4-[difluoro(methoxy)methyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentanenitrile (PubChem CID 25018322) has the molecular formula C8H7F8NO and a molecular weight of 285.13 g/mol. Its IUPAC name is 4-[difluoro(methoxy)methyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentanenitrile.

Molecular Properties

Compound Name4-[difluoro(methoxy)methyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentanenitrile
PubChem CID25018322
Molecular FormulaC8H7F8NO
Molecular Weight285.13 g/mol
Exact Mass285.04
IUPAC Name4-[difluoro(methoxy)methyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentanenitrile
SMILESCOC(F)(F)C(CCC#N)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H7F8NO/c1-18-8(15,16)5(3-2-4-17,6(9,10)11)7(12,13)14/h2-3H2,1H3
InChIKeyAHZLOJBZQNQXLK-UHFFFAOYSA-N
XLogP3.64
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[difluoro(methoxy)methyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentanenitrile?
The IUPAC name of 4-[difluoro(methoxy)methyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentanenitrile (CID 25018322) is 4-[difluoro(methoxy)methyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentanenitrile.
What is the SMILES notation for 4-[difluoro(methoxy)methyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentanenitrile?
The canonical SMILES for 4-[difluoro(methoxy)methyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentanenitrile is COC(F)(F)C(CCC#N)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-[difluoro(methoxy)methyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentanenitrile?
The InChIKey is AHZLOJBZQNQXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F8NO/c1-18-8(15,16)5(3-2-4-17,6(9,10)11)7(12,13)14/h2-3H2,1H3.
What are the key properties of 4-[difluoro(methoxy)methyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentanenitrile?
4-[difluoro(methoxy)methyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentanenitrile has a molecular weight of 285.13 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[difluoro(methoxy)methyl]-5,5,5-trifluoro-4-(trifluoromethyl)pentanenitrile is sourced from PubChem (CID 25018322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).