2,2,3,3,4,4,5,5,6,6-decafluoro-1-methoxyheptane

C8H8F10O — CID 158825980

IUPAC2,2,3,3,4,4,5,5,6,6-decafluoro-1-methoxyheptane
SMILESCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C8H8F10O/c1-4(9,10)6(13,14)8(17,18)7(15,16)5(11,12)3-19-2/h3H2,1-2H3
InChIKeyCGBFJVHBMZRIBE-UHFFFAOYSA-N
MW310.13 g/mol
LogP3.83
Rot. Bonds6

About 2,2,3,3,4,4,5,5,6,6-decafluoro-1-methoxyheptane

2,2,3,3,4,4,5,5,6,6-decafluoro-1-methoxyheptane (PubChem CID 158825980) has the molecular formula C8H8F10O and a molecular weight of 310.13 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6-decafluoro-1-methoxyheptane.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6-decafluoro-1-methoxyheptane
PubChem CID158825980
Molecular FormulaC8H8F10O
Molecular Weight310.13 g/mol
Exact Mass310.04
IUPAC Name2,2,3,3,4,4,5,5,6,6-decafluoro-1-methoxyheptane
SMILESCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F
InChIInChI=1S/C8H8F10O/c1-4(9,10)6(13,14)8(17,18)7(15,16)5(11,12)3-19-2/h3H2,1-2H3
InChIKeyCGBFJVHBMZRIBE-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.13
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,5,5,6,6-decafluoro-1-methoxyheptane 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

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-methoxyoctane
CID 21057502
1,1,1,2,2,3,3,4,4,5,5-undecafluoro-6-methoxyhexane
CID 71669115
2,2,3,3-tetrafluoro-1-methoxybutane
CID 59343885
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-tetracosafluoro-13-methoxy-2-(trifluoromethyl)tridecane
CID 170095555
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoro-1-methoxy-12-[1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3,4,4-octafluoro-4-(1,1,2,2-tetrafluoropropoxy)butoxy]ethoxy]dodecane
CID 58017933
1,1,1,2,2-pentafluoro-3-methoxypropane
CID 2776015
2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorononan-1-ol
CID 91174488
trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-octadecafluorododecyl)silane
CID 54195481
2,2,3,3,4,4,5,5-octafluoro-1-(2-methylpropoxy)hexane
CID 19782043
trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecafluorodecyl)silane
CID 102247374
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl prop-2-enoate
CID 151064296
heptan-1-amine;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-8-methoxyoctane
CID 91087406

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-methoxyheptane?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-methoxyheptane (CID 158825980) is 2,2,3,3,4,4,5,5,6,6-decafluoro-1-methoxyheptane.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-methoxyheptane?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-methoxyheptane is COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-methoxyheptane?
The InChIKey is CGBFJVHBMZRIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F10O/c1-4(9,10)6(13,14)8(17,18)7(15,16)5(11,12)3-19-2/h3H2,1-2H3.
What are the key properties of 2,2,3,3,4,4,5,5,6,6-decafluoro-1-methoxyheptane?
2,2,3,3,4,4,5,5,6,6-decafluoro-1-methoxyheptane has a molecular weight of 310.13 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6-decafluoro-1-methoxyheptane is sourced from PubChem (CID 158825980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).