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

C8H6F12O — CID 58537757

IUPAC2-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane
SMILESCCOC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H6F12O/c1-2-21-5(11,8(18,19)20)3(9)4(10,6(12,13)14)7(15,16)17/h3H,2H2,1H3
InChIKeyNOMGBIAKRCECOE-UHFFFAOYSA-N
MW346.11 g/mol
LogP4.42
Rot. Bonds4

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

2-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane (PubChem CID 58537757) has the molecular formula C8H6F12O and a molecular weight of 346.11 g/mol. Its IUPAC name is 2-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane.

Molecular Properties

Compound Name2-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane
PubChem CID58537757
Molecular FormulaC8H6F12O
Molecular Weight346.11 g/mol
Exact Mass346.02
IUPAC Name2-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane
SMILESCCOC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H6F12O/c1-2-21-5(11,8(18,19)20)3(9)4(10,6(12,13)14)7(15,16)17/h3H,2H2,1H3
InChIKeyNOMGBIAKRCECOE-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.11
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Ethoxyperfluoro(2-methylhexane)
CID 2782436
1,1,1,2,3,3-Hexafluoro-4-(1,1,2,3,3,3-hexafluoropropoxy)pentane
CID 71405907
Hexafluorisopropylmethylather
CID 129635123
4-Ethoxy-1,1,1,2,2,3,3,5,6,6,6-undecafluoro-5-(trifluoromethyl)hexane
CID 178337815
1-Fluoro-2-methyl-2-(2,2,2-trifluoroethoxy)pentane
CID 10584237
2-Fluoro-2-methyl-1-(2,2,2-trifluoroethoxy)pentane
CID 10798148
1,1,1,2,3,4,5,5,5-Nonafluoro-2-(([2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentyl]oxy)methyl)-4-(trifluoromethyl)pentane
CID 91743406
2-Butoxy-1,1,1,3,3,4,4,5,5,5-decafluoro-2-(trifluoromethyl)pentane
CID 12713814
1,1,1,2,2,3,3,5,5,5-Decafluoro-4-propoxy-4-(trifluoromethyl)pentane
CID 15006619
1,1,1,2,2,3,4,5,5,5-Decafluoro-3-methoxy-4-methylpentane
CID 18798723
2-(Difluoromethyl)-4-[3-(difluoromethyl)-2,2,3,4,4,4-hexafluorobutoxy]-1,1,1,2,3,3-hexafluorobutane
CID 18798724
4-Ethoxy-1,1,1,2,3,3-hexafluoro-2-(trifluoromethyl)butane
CID 19063479

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane?
The IUPAC name of 2-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane (CID 58537757) is 2-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane.
What is the SMILES notation for 2-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane?
The canonical SMILES for 2-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane is CCOC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane?
The InChIKey is NOMGBIAKRCECOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F12O/c1-2-21-5(11,8(18,19)20)3(9)4(10,6(12,13)14)7(15,16)17/h3H,2H2,1H3.
What are the key properties of 2-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane?
2-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane has a molecular weight of 346.11 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentane is sourced from PubChem (CID 58537757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).