3-ethoxy-1,1,1,5-tetrafluoropentane

C7H12F4O — CID 54449728

IUPAC3-ethoxy-1,1,1,5-tetrafluoropentane
SMILESCCOC(CCF)CC(F)(F)F
InChIInChI=1S/C7H12F4O/c1-2-12-6(3-4-8)5-7(9,10)11/h6H,2-5H2,1H3
InChIKeyWUBZGFJPRZUXAZ-UHFFFAOYSA-N
MW188.16 g/mol
LogP2.70
Rot. Bonds5

About 3-ethoxy-1,1,1,5-tetrafluoropentane

3-ethoxy-1,1,1,5-tetrafluoropentane (PubChem CID 54449728) has the molecular formula C7H12F4O and a molecular weight of 188.16 g/mol. Its IUPAC name is 3-ethoxy-1,1,1,5-tetrafluoropentane.

Molecular Properties

Compound Name3-ethoxy-1,1,1,5-tetrafluoropentane
PubChem CID54449728
Molecular FormulaC7H12F4O
Molecular Weight188.16 g/mol
Exact Mass188.08
IUPAC Name3-ethoxy-1,1,1,5-tetrafluoropentane
SMILESCCOC(CCF)CC(F)(F)F
InChIInChI=1S/C7H12F4O/c1-2-12-6(3-4-8)5-7(9,10)11/h6H,2-5H2,1H3
InChIKeyWUBZGFJPRZUXAZ-UHFFFAOYSA-N
XLogP2.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethoxy-1,5-difluoropentane
CID 54263170
(2S)-2-ethoxy-1-fluorobutane
CID 153031370
3-ethoxy-1,1,2,2,5-pentafluoropentane
CID 54131006
4,4,4-trifluoro-2-methoxybutan-1-amine
CID 105430601
2-ethoxy-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 63071578
2-ethoxy-N'-ethyl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine
CID 63069720
bis(1,1,1-trifluoropentan-3-yl) carbonate
CID 87132428
(2S)-2-ethoxybutane-1,4-diol
CID 89342985
(2S)-2-ethoxybutan-1-ol
CID 89167253
5-ethoxynonane
CID 91187482
4-ethoxyhexan-1-amine
CID 21432824
2-ethoxy-1,1,1,3,4-pentafluorobutane
CID 57199852

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1,1,1,5-tetrafluoropentane?
The IUPAC name of 3-ethoxy-1,1,1,5-tetrafluoropentane (CID 54449728) is 3-ethoxy-1,1,1,5-tetrafluoropentane.
What is the SMILES notation for 3-ethoxy-1,1,1,5-tetrafluoropentane?
The canonical SMILES for 3-ethoxy-1,1,1,5-tetrafluoropentane is CCOC(CCF)CC(F)(F)F.
What is the InChIKey of 3-ethoxy-1,1,1,5-tetrafluoropentane?
The InChIKey is WUBZGFJPRZUXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F4O/c1-2-12-6(3-4-8)5-7(9,10)11/h6H,2-5H2,1H3.
What are the key properties of 3-ethoxy-1,1,1,5-tetrafluoropentane?
3-ethoxy-1,1,1,5-tetrafluoropentane has a molecular weight of 188.16 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,1,1,5-tetrafluoropentane is sourced from PubChem (CID 54449728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).