CID 100944423

C8H11F4O — CID 100944423

IUPAC—
SMILESC=COCCCCC(F)(F)[C](F)F
InChIInChI=1S/C8H11F4O/c1-2-13-6-4-3-5-8(11,12)7(9)10/h2H,1,3-6H2
InChIKeyCERKTJSREWCULI-UHFFFAOYSA-N
MW199.17 g/mol
LogP3.38
Rot. Bonds7

About CID 100944423

CID 100944423 (PubChem CID 100944423) has the molecular formula C8H11F4O and a molecular weight of 199.17 g/mol.

Molecular Properties

Compound NameCID 100944423
PubChem CID100944423
Molecular FormulaC8H11F4O
Molecular Weight199.17 g/mol
Exact Mass199.07
IUPAC Name—
SMILESC=COCCCCC(F)(F)[C](F)F
InChIInChI=1S/C8H11F4O/c1-2-13-6-4-3-5-8(11,12)7(9)10/h2H,1,3-6H2
InChIKeyCERKTJSREWCULI-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,9-bis(ethenoxy)nonane
CID 21044784
1,16-bis(ethenoxy)hexadecane
CID 19877850
14-ethenoxytetradecan-1-ol
CID 139931182
1,4-bis(ethenoxy)butane;butane
CID 158192522
1-ethenoxy-4,4-dimethylpentane
CID 58671996
4-ethenoxybutyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoate
CID 141293636
1-(3-ethenoxypropoxy)-1,1,2,2,3,3,3-heptafluoropropane
CID 57235301
7-ethenoxyheptan-3-ol
CID 175035685
11-ethenoxy-2-fluoroundecan-1-ol
CID 139609456
1-bromo-6-ethenoxyhexane
CID 58795171
1-ethenoxytriacontane
CID 14647805
5-ethenoxy-2,2-dimethylpentanoic acid
CID 23167562

Frequently Asked Questions

What is the IUPAC name of CID 100944423?
The IUPAC name of CID 100944423 (CID 100944423) is not available.
What is the SMILES notation for CID 100944423?
The canonical SMILES for CID 100944423 is C=COCCCCC(F)(F)[C](F)F.
What is the InChIKey of CID 100944423?
The InChIKey is CERKTJSREWCULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F4O/c1-2-13-6-4-3-5-8(11,12)7(9)10/h2H,1,3-6H2.
What are the key properties of CID 100944423?
CID 100944423 has a molecular weight of 199.17 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100944423 is sourced from PubChem (CID 100944423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).