3-ethoxy-1,1,2,4,4-pentafluoropentane

C7H11F5O — CID 54231130

IUPAC3-ethoxy-1,1,2,4,4-pentafluoropentane
SMILESCCOC(C(F)C(F)F)C(C)(F)F
InChIInChI=1S/C7H11F5O/c1-3-13-5(7(2,11)12)4(8)6(9)10/h4-6H,3H2,1-2H3
InChIKeyQJIMFOYKGIMZKA-UHFFFAOYSA-N
MW206.15 g/mol
LogP2.65
Rot. Bonds5

About 3-ethoxy-1,1,2,4,4-pentafluoropentane

3-ethoxy-1,1,2,4,4-pentafluoropentane (PubChem CID 54231130) has the molecular formula C7H11F5O and a molecular weight of 206.15 g/mol. Its IUPAC name is 3-ethoxy-1,1,2,4,4-pentafluoropentane.

Molecular Properties

Compound Name3-ethoxy-1,1,2,4,4-pentafluoropentane
PubChem CID54231130
Molecular FormulaC7H11F5O
Molecular Weight206.15 g/mol
Exact Mass206.07
IUPAC Name3-ethoxy-1,1,2,4,4-pentafluoropentane
SMILESCCOC(C(F)C(F)F)C(C)(F)F
InChIInChI=1S/C7H11F5O/c1-3-13-5(7(2,11)12)4(8)6(9)10/h4-6H,3H2,1-2H3
InChIKeyQJIMFOYKGIMZKA-UHFFFAOYSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethoxy-1,1,2,2,4,4-hexafluoropentane
CID 54023410
2-ethoxy-1,1,1,3,4-pentafluorobutane
CID 57199852
3-ethoxy-1,1,2,2,4-pentafluoropentane
CID 57087164
3-ethoxy-1,2,2,4-tetrafluoropentane
CID 57247223
(S)-N-(1-ethoxy-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide
CID 166148136
1,1,2,2,4,5,5-heptafluoro-3-methoxypentane
CID 54161073
2,2-dimethyl-1-(1,1,1,3,3-pentafluoropropan-2-yloxy)propane
CID 150347189
(3S)-4-ethoxy-5,5-dimethylhexan-3-amine
CID 104932287
1-ethoxy-2,2,2-trifluoroethanol
CID 9897
ethyl 2,2,3,3,4,4,5,6,7,7-decafluoroheptanoate
CID 87918751
azane;triethoxy(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)silane
CID 174929284
3-ethoxy-2,2,5-trimethylheptan-4-amine
CID 116725356

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1,1,2,4,4-pentafluoropentane?
The IUPAC name of 3-ethoxy-1,1,2,4,4-pentafluoropentane (CID 54231130) is 3-ethoxy-1,1,2,4,4-pentafluoropentane.
What is the SMILES notation for 3-ethoxy-1,1,2,4,4-pentafluoropentane?
The canonical SMILES for 3-ethoxy-1,1,2,4,4-pentafluoropentane is CCOC(C(F)C(F)F)C(C)(F)F.
What is the InChIKey of 3-ethoxy-1,1,2,4,4-pentafluoropentane?
The InChIKey is QJIMFOYKGIMZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F5O/c1-3-13-5(7(2,11)12)4(8)6(9)10/h4-6H,3H2,1-2H3.
What are the key properties of 3-ethoxy-1,1,2,4,4-pentafluoropentane?
3-ethoxy-1,1,2,4,4-pentafluoropentane has a molecular weight of 206.15 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,1,2,4,4-pentafluoropentane is sourced from PubChem (CID 54231130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).