ethane;formaldehyde;1,2,3,4,5-pentafluoro-6-methylbenzene

C10H11F5O — CID 142404647

IUPACethane;formaldehyde;1,2,3,4,5-pentafluoro-6-methylbenzene
SMILESC=O.CC.Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7H3F5.C2H6.CH2O/c1-2-3(8)5(10)7(12)6(11)4(2)9;2*1-2/h1H3;1-2H3;1H2
InChIKeyLOZFPMXINOBZHZ-UHFFFAOYSA-N
MW242.19 g/mol
LogP3.53
Rot. Bonds

About ethane;formaldehyde;1,2,3,4,5-pentafluoro-6-methylbenzene

ethane;formaldehyde;1,2,3,4,5-pentafluoro-6-methylbenzene (PubChem CID 142404647) has the molecular formula C10H11F5O and a molecular weight of 242.19 g/mol. Its IUPAC name is ethane;formaldehyde;1,2,3,4,5-pentafluoro-6-methylbenzene.

Molecular Properties

Compound Nameethane;formaldehyde;1,2,3,4,5-pentafluoro-6-methylbenzene
PubChem CID142404647
Molecular FormulaC10H11F5O
Molecular Weight242.19 g/mol
Exact Mass242.07
IUPAC Nameethane;formaldehyde;1,2,3,4,5-pentafluoro-6-methylbenzene
SMILESC=O.CC.Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7H3F5.C2H6.CH2O/c1-2-3(8)5(10)7(12)6(11)4(2)9;2*1-2/h1H3;1-2H3;1H2
InChIKeyLOZFPMXINOBZHZ-UHFFFAOYSA-N
XLogP3.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;formaldehyde;1,2,3,4,5-pentafluoro-6-methylbenzene?
The IUPAC name of ethane;formaldehyde;1,2,3,4,5-pentafluoro-6-methylbenzene (CID 142404647) is ethane;formaldehyde;1,2,3,4,5-pentafluoro-6-methylbenzene.
What is the SMILES notation for ethane;formaldehyde;1,2,3,4,5-pentafluoro-6-methylbenzene?
The canonical SMILES for ethane;formaldehyde;1,2,3,4,5-pentafluoro-6-methylbenzene is C=O.CC.Cc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of ethane;formaldehyde;1,2,3,4,5-pentafluoro-6-methylbenzene?
The InChIKey is LOZFPMXINOBZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F5.C2H6.CH2O/c1-2-3(8)5(10)7(12)6(11)4(2)9;2*1-2/h1H3;1-2H3;1H2.
What are the key properties of ethane;formaldehyde;1,2,3,4,5-pentafluoro-6-methylbenzene?
ethane;formaldehyde;1,2,3,4,5-pentafluoro-6-methylbenzene has a molecular weight of 242.19 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formaldehyde;1,2,3,4,5-pentafluoro-6-methylbenzene is sourced from PubChem (CID 142404647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).