2-(2,2-difluorobutoxy)-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane

C10H8F14O — CID 58537739

IUPAC2-(2,2-difluorobutoxy)-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane
SMILESCCC(F)(F)COC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8F14O/c1-2-5(12,13)3-25-7(15,10(22,23)24)4(11)6(14,8(16,17)18)9(19,20)21/h4H,2-3H2,1H3
InChIKeyWZJPRFNCLQEQTG-UHFFFAOYSA-N
MW410.15 g/mol
LogP5.45
Rot. Bonds6

About 2-(2,2-difluorobutoxy)-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane

2-(2,2-difluorobutoxy)-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane (PubChem CID 58537739) has the molecular formula C10H8F14O and a molecular weight of 410.15 g/mol. Its IUPAC name is 2-(2,2-difluorobutoxy)-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane.

Molecular Properties

Compound Name2-(2,2-difluorobutoxy)-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane
PubChem CID58537739
Molecular FormulaC10H8F14O
Molecular Weight410.15 g/mol
Exact Mass410.04
IUPAC Name2-(2,2-difluorobutoxy)-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane
SMILESCCC(F)(F)COC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8F14O/c1-2-5(12,13)3-25-7(15,10(22,23)24)4(11)6(14,8(16,17)18)9(19,20)21/h4H,2-3H2,1H3
InChIKeyWZJPRFNCLQEQTG-UHFFFAOYSA-N
XLogP5.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.15
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluorobutoxy)-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane?
The IUPAC name of 2-(2,2-difluorobutoxy)-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane (CID 58537739) is 2-(2,2-difluorobutoxy)-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane.
What is the SMILES notation for 2-(2,2-difluorobutoxy)-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane?
The canonical SMILES for 2-(2,2-difluorobutoxy)-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane is CCC(F)(F)COC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(2,2-difluorobutoxy)-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane?
The InChIKey is WZJPRFNCLQEQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F14O/c1-2-5(12,13)3-25-7(15,10(22,23)24)4(11)6(14,8(16,17)18)9(19,20)21/h4H,2-3H2,1H3.
What are the key properties of 2-(2,2-difluorobutoxy)-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane?
2-(2,2-difluorobutoxy)-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane has a molecular weight of 410.15 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluorobutoxy)-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane is sourced from PubChem (CID 58537739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).