2-(1,1,2,2-tetrafluoroethoxy)heptane

C9H16F4O — CID 139669700

IUPAC2-(1,1,2,2-tetrafluoroethoxy)heptane
SMILESCCCCCC(C)OC(F)(F)C(F)F
InChIInChI=1S/C9H16F4O/c1-3-4-5-6-7(2)14-9(12,13)8(10)11/h7-8H,3-6H2,1-2H3
InChIKeyVQAJNGRYZZOATB-UHFFFAOYSA-N
MW216.22 g/mol
LogP3.83
Rot. Bonds7

About 2-(1,1,2,2-tetrafluoroethoxy)heptane

2-(1,1,2,2-tetrafluoroethoxy)heptane (PubChem CID 139669700) has the molecular formula C9H16F4O and a molecular weight of 216.22 g/mol. Its IUPAC name is 2-(1,1,2,2-tetrafluoroethoxy)heptane.

Molecular Properties

Compound Name2-(1,1,2,2-tetrafluoroethoxy)heptane
PubChem CID139669700
Molecular FormulaC9H16F4O
Molecular Weight216.22 g/mol
Exact Mass216.11
IUPAC Name2-(1,1,2,2-tetrafluoroethoxy)heptane
SMILESCCCCCC(C)OC(F)(F)C(F)F
InChIInChI=1S/C9H16F4O/c1-3-4-5-6-7(2)14-9(12,13)8(10)11/h7-8H,3-6H2,1-2H3
InChIKeyVQAJNGRYZZOATB-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(trifluoromethoxy)undecane
CID 150054524
2,2-difluoro-2-octan-2-yloxyacetic acid
CID 43651907
2-(1,1,2,3,3,3-hexafluoropropoxy)pentane
CID 139667083
tridecan-2-yl 2,2,2-trifluoroacetate
CID 536345
2-fluorohenicosane
CID 91354486
2-ethoxytridecane
CID 54143367
O-hexadecan-2-ylhydroxylamine
CID 18799052
tetradecan-2-yloxysilane
CID 173015270
decan-2-yl 2,2,3,3,3-pentafluoropropanoate
CID 91691443
cobalt;2-methylheptane
CID 175521472
mercury;2-methylheptane
CID 175108338
2-methyldecane
CID 23415

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2-tetrafluoroethoxy)heptane?
The IUPAC name of 2-(1,1,2,2-tetrafluoroethoxy)heptane (CID 139669700) is 2-(1,1,2,2-tetrafluoroethoxy)heptane.
What is the SMILES notation for 2-(1,1,2,2-tetrafluoroethoxy)heptane?
The canonical SMILES for 2-(1,1,2,2-tetrafluoroethoxy)heptane is CCCCCC(C)OC(F)(F)C(F)F.
What is the InChIKey of 2-(1,1,2,2-tetrafluoroethoxy)heptane?
The InChIKey is VQAJNGRYZZOATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F4O/c1-3-4-5-6-7(2)14-9(12,13)8(10)11/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(1,1,2,2-tetrafluoroethoxy)heptane?
2-(1,1,2,2-tetrafluoroethoxy)heptane has a molecular weight of 216.22 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2-tetrafluoroethoxy)heptane is sourced from PubChem (CID 139669700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).