1,1,1,3,3-pentafluoro-2,2,4-trimethyl-4-propan-2-yloxypentane

C11H19F5O — CID 166965007

IUPAC1,1,1,3,3-pentafluoro-2,2,4-trimethyl-4-propan-2-yloxypentane
SMILESCC(C)OC(C)(C)C(F)(F)C(C)(C)C(F)(F)F
InChIInChI=1S/C11H19F5O/c1-7(2)17-9(5,6)10(12,13)8(3,4)11(14,15)16/h7H,1-6H3
InChIKeyCBEOWEXZCGROPJ-UHFFFAOYSA-N
MW262.26 g/mol
LogP4.41
Rot. Bonds4

About 1,1,1,3,3-pentafluoro-2,2,4-trimethyl-4-propan-2-yloxypentane

1,1,1,3,3-pentafluoro-2,2,4-trimethyl-4-propan-2-yloxypentane (PubChem CID 166965007) has the molecular formula C11H19F5O and a molecular weight of 262.26 g/mol. Its IUPAC name is 1,1,1,3,3-pentafluoro-2,2,4-trimethyl-4-propan-2-yloxypentane.

Molecular Properties

Compound Name1,1,1,3,3-pentafluoro-2,2,4-trimethyl-4-propan-2-yloxypentane
PubChem CID166965007
Molecular FormulaC11H19F5O
Molecular Weight262.26 g/mol
Exact Mass262.14
IUPAC Name1,1,1,3,3-pentafluoro-2,2,4-trimethyl-4-propan-2-yloxypentane
SMILESCC(C)OC(C)(C)C(F)(F)C(C)(C)C(F)(F)F
InChIInChI=1S/C11H19F5O/c1-7(2)17-9(5,6)10(12,13)8(3,4)11(14,15)16/h7H,1-6H3
InChIKeyCBEOWEXZCGROPJ-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Hexafluorisopropylmethylather
CID 129635123
1-Fluoro-2-methyl-2-(2,2,2-trifluoroethoxy)pentane
CID 10584237
2-Butoxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentane
CID 12713814
[1,1,1-Trifluoro-2-(trifluoromethyl)pentan-2-yl]oxycyclopentane
CID 13709899
1,1,1,2,2,3,3,5,5,5-Decafluoro-4-methyl-4-propan-2-yloxypentane
CID 19761914
2-Butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-methylpentane
CID 19761916
1,1,1,2,2,3,3,5,5,5-Decafluoro-4-methyl-4-(2-methylpropoxy)pentane
CID 19761932
1,1,1,2,2,3,3,5,5,5-Decafluoro-4-methyl-4-(3-methylbutoxy)pentane
CID 19761941
1,1,1,2,2,3,3,5,5,5-Decafluoro-4-propan-2-yloxy-4-(trifluoromethyl)pentane
CID 19761957
1,1,1,2,2,3,3,5,5,5-Decafluoro-4-(3-methylbutoxy)-4-(trifluoromethyl)pentane
CID 19761962
2-Butan-2-yloxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentane
CID 19761963
1,1,1,2,2,3,3,5,5,5-Decafluoro-4-(2-methylpropoxy)-4-(trifluoromethyl)pentane
CID 19761970

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3-pentafluoro-2,2,4-trimethyl-4-propan-2-yloxypentane?
The IUPAC name of 1,1,1,3,3-pentafluoro-2,2,4-trimethyl-4-propan-2-yloxypentane (CID 166965007) is 1,1,1,3,3-pentafluoro-2,2,4-trimethyl-4-propan-2-yloxypentane.
What is the SMILES notation for 1,1,1,3,3-pentafluoro-2,2,4-trimethyl-4-propan-2-yloxypentane?
The canonical SMILES for 1,1,1,3,3-pentafluoro-2,2,4-trimethyl-4-propan-2-yloxypentane is CC(C)OC(C)(C)C(F)(F)C(C)(C)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3-pentafluoro-2,2,4-trimethyl-4-propan-2-yloxypentane?
The InChIKey is CBEOWEXZCGROPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F5O/c1-7(2)17-9(5,6)10(12,13)8(3,4)11(14,15)16/h7H,1-6H3.
What are the key properties of 1,1,1,3,3-pentafluoro-2,2,4-trimethyl-4-propan-2-yloxypentane?
1,1,1,3,3-pentafluoro-2,2,4-trimethyl-4-propan-2-yloxypentane has a molecular weight of 262.26 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3-pentafluoro-2,2,4-trimethyl-4-propan-2-yloxypentane is sourced from PubChem (CID 166965007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).