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

C7H11F5O — CID 57087164

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

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

3-ethoxy-1,1,2,2,4-pentafluoropentane (PubChem CID 57087164) has the molecular formula C7H11F5O and a molecular weight of 206.15 g/mol. Its IUPAC name is 3-ethoxy-1,1,2,2,4-pentafluoropentane.

Molecular Properties

Compound Name3-ethoxy-1,1,2,2,4-pentafluoropentane
PubChem CID57087164
Molecular FormulaC7H11F5O
Molecular Weight206.15 g/mol
Exact Mass206.07
IUPAC Name3-ethoxy-1,1,2,2,4-pentafluoropentane
SMILESCCOC(C(C)F)C(F)(F)C(F)F
InChIInChI=1S/C7H11F5O/c1-3-13-5(4(2)8)7(11,12)6(9)10/h4-6H,3H2,1-2H3
InChIKeyMHNFCFBNLTZPJJ-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

Computed Properties (RDKit)

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

Analyze 3-ethoxy-1,1,2,2,4-pentafluoropentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethoxy-1,2,2,4-tetrafluoropentane
CID 57247223
3-ethoxy-1,1,2,2,4,4-hexafluoropentane
CID 54023410
3-ethoxy-1,1,2,2,5-pentafluoropentane
CID 54131006
2-ethoxy-1,1,1,3,4-pentafluorobutane
CID 57199852
3-ethoxy-1,1,2,4,4-pentafluoropentane
CID 54231130
1,1,2,2,4,5,5-heptafluoro-3-methoxypentane
CID 54161073
(3,3-difluoro-4-triethoxysilylpentan-2-yl)-triethoxysilane
CID 87839555
1,1-diethoxyethane
CID 7765
1-ethoxy-2,2,2-trifluoroethanol
CID 9897
3-ethoxy-2,2,5-trimethylheptan-4-amine
CID 116725356
1,4-bis[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene
CID 157142013
3-(3,3-diethoxypropoxy)-1,1,2,2-tetrafluoropropane
CID 55248600

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1,1,2,2,4-pentafluoropentane?
The IUPAC name of 3-ethoxy-1,1,2,2,4-pentafluoropentane (CID 57087164) is 3-ethoxy-1,1,2,2,4-pentafluoropentane.
What is the SMILES notation for 3-ethoxy-1,1,2,2,4-pentafluoropentane?
The canonical SMILES for 3-ethoxy-1,1,2,2,4-pentafluoropentane is CCOC(C(C)F)C(F)(F)C(F)F.
What is the InChIKey of 3-ethoxy-1,1,2,2,4-pentafluoropentane?
The InChIKey is MHNFCFBNLTZPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F5O/c1-3-13-5(4(2)8)7(11,12)6(9)10/h4-6H,3H2,1-2H3.
What are the key properties of 3-ethoxy-1,1,2,2,4-pentafluoropentane?
3-ethoxy-1,1,2,2,4-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-1,1,2,2,4-pentafluoropentane is sourced from PubChem (CID 57087164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).