1,1,2,2,4,5,5-heptafluoro-3-methoxypentane

C6H7F7O — CID 54161073

IUPAC1,1,2,2,4,5,5-heptafluoro-3-methoxypentane
SMILESCOC(C(F)C(F)F)C(F)(F)C(F)F
InChIInChI=1S/C6H7F7O/c1-14-3(2(7)4(8)9)6(12,13)5(10)11/h2-5H,1H3
InChIKeyOOLFALDFECSBHA-UHFFFAOYSA-N
MW228.11 g/mol
LogP2.51
Rot. Bonds5

About 1,1,2,2,4,5,5-heptafluoro-3-methoxypentane

1,1,2,2,4,5,5-heptafluoro-3-methoxypentane (PubChem CID 54161073) has the molecular formula C6H7F7O and a molecular weight of 228.11 g/mol. Its IUPAC name is 1,1,2,2,4,5,5-heptafluoro-3-methoxypentane.

Molecular Properties

Compound Name1,1,2,2,4,5,5-heptafluoro-3-methoxypentane
PubChem CID54161073
Molecular FormulaC6H7F7O
Molecular Weight228.11 g/mol
Exact Mass228.04
IUPAC Name1,1,2,2,4,5,5-heptafluoro-3-methoxypentane
SMILESCOC(C(F)C(F)F)C(F)(F)C(F)F
InChIInChI=1S/C6H7F7O/c1-14-3(2(7)4(8)9)6(12,13)5(10)11/h2-5H,1H3
InChIKeyOOLFALDFECSBHA-UHFFFAOYSA-N
XLogP2.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.11
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,2,2,4,5,5-heptafluoro-3-methoxypentane 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-1,1,2,2,4-pentafluoropentane
CID 57087164
1,1,1,2,4,4,4-heptafluoro-3-methoxybutane
CID 57200862
1,1,1,4,5,5-hexafluoro-3-methoxypentane
CID 54318379
3-ethoxy-1,1,2,4,4-pentafluoropentane
CID 54231130
1,2,2,3,3,4,5,6,7,7-decafluoro-1-methoxyheptane
CID 174239213
1,1,1-trifluoro-2-methoxy-3-methylbutane
CID 59790373
(2S)-1,1,1,2-tetrafluoro-2-methoxyethane
CID 10986261
(2R)-1,1,1,2-tetrafluoro-2-methoxyethane
CID 14272779
(2S,3R)-1,1,1-trifluoro-2-methoxypentan-3-amine
CID 170384161
methyl 2,3,3,4,4-pentafluorobutanoate
CID 20600114
3-ethoxy-1,1,2,2,4,4-hexafluoropentane
CID 54023410
difluoro(methoxy)methane;methoxymethane;trifluoro(methoxy)methane
CID 158880331

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,4,5,5-heptafluoro-3-methoxypentane?
The IUPAC name of 1,1,2,2,4,5,5-heptafluoro-3-methoxypentane (CID 54161073) is 1,1,2,2,4,5,5-heptafluoro-3-methoxypentane.
What is the SMILES notation for 1,1,2,2,4,5,5-heptafluoro-3-methoxypentane?
The canonical SMILES for 1,1,2,2,4,5,5-heptafluoro-3-methoxypentane is COC(C(F)C(F)F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2,4,5,5-heptafluoro-3-methoxypentane?
The InChIKey is OOLFALDFECSBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F7O/c1-14-3(2(7)4(8)9)6(12,13)5(10)11/h2-5H,1H3.
What are the key properties of 1,1,2,2,4,5,5-heptafluoro-3-methoxypentane?
1,1,2,2,4,5,5-heptafluoro-3-methoxypentane has a molecular weight of 228.11 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,4,5,5-heptafluoro-3-methoxypentane is sourced from PubChem (CID 54161073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).