3-ethoxy-1,1,2,2,5-pentafluoropentane

C7H11F5O — CID 54131006

IUPAC3-ethoxy-1,1,2,2,5-pentafluoropentane
SMILESCCOC(CCF)C(F)(F)C(F)F
InChIInChI=1S/C7H11F5O/c1-2-13-5(3-4-8)7(11,12)6(9)10/h5-6H,2-4H2,1H3
InChIKeyNUJHVIRCTDQVCG-UHFFFAOYSA-N
MW206.15 g/mol
LogP2.65
Rot. Bonds6

About 3-ethoxy-1,1,2,2,5-pentafluoropentane

3-ethoxy-1,1,2,2,5-pentafluoropentane (PubChem CID 54131006) has the molecular formula C7H11F5O and a molecular weight of 206.15 g/mol. Its IUPAC name is 3-ethoxy-1,1,2,2,5-pentafluoropentane.

Molecular Properties

Compound Name3-ethoxy-1,1,2,2,5-pentafluoropentane
PubChem CID54131006
Molecular FormulaC7H11F5O
Molecular Weight206.15 g/mol
Exact Mass206.07
IUPAC Name3-ethoxy-1,1,2,2,5-pentafluoropentane
SMILESCCOC(CCF)C(F)(F)C(F)F
InChIInChI=1S/C7H11F5O/c1-2-13-5(3-4-8)7(11,12)6(9)10/h5-6H,2-4H2,1H3
InChIKeyNUJHVIRCTDQVCG-UHFFFAOYSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-1,1,2,2,4-pentafluoropentane
CID 57087164
3-ethoxy-1,1,2,2,4,4-hexafluoropentane
CID 54023410
3-ethoxy-1,5-difluoropentane
CID 54263170
3-ethoxy-1,1,1,5-tetrafluoropentane
CID 54449728
2-ethoxy-1,1,1,3,4-pentafluorobutane
CID 57199852
3-ethoxy-1,2,2,4-tetrafluoropentane
CID 57247223
1,4,4-trifluoro-3-methoxypentane
CID 54190148
2-ethoxy-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 63071578
3-(3,3-diethoxypropoxy)-1,1,2,2-tetrafluoropropane
CID 55248600
2-ethoxy-N'-ethyl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine
CID 63069720
(3S)-3-ethoxy-2,2-dimethylpentane
CID 88893623
N-(2,2-diethoxyethyl)-2,2,2-trifluoro-N-methylethanamine
CID 63618857

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1,1,2,2,5-pentafluoropentane?
The IUPAC name of 3-ethoxy-1,1,2,2,5-pentafluoropentane (CID 54131006) is 3-ethoxy-1,1,2,2,5-pentafluoropentane.
What is the SMILES notation for 3-ethoxy-1,1,2,2,5-pentafluoropentane?
The canonical SMILES for 3-ethoxy-1,1,2,2,5-pentafluoropentane is CCOC(CCF)C(F)(F)C(F)F.
What is the InChIKey of 3-ethoxy-1,1,2,2,5-pentafluoropentane?
The InChIKey is NUJHVIRCTDQVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F5O/c1-2-13-5(3-4-8)7(11,12)6(9)10/h5-6H,2-4H2,1H3.
What are the key properties of 3-ethoxy-1,1,2,2,5-pentafluoropentane?
3-ethoxy-1,1,2,2,5-pentafluoropentane has a molecular weight of 206.15 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,1,2,2,5-pentafluoropentane is sourced from PubChem (CID 54131006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).