formamide;1,2,3,4,5-pentafluorobenzene

C7H4F5NO — CID 160585711

IUPACformamide;1,2,3,4,5-pentafluorobenzene
SMILESFc1cc(F)c(F)c(F)c1F.NC=O
InChIInChI=1S/C6HF5.CH3NO/c7-2-1-3(8)5(10)6(11)4(2)9;2-1-3/h1H;1H,(H2,2,3)
InChIKeyRCJBDJDQOIKAEF-UHFFFAOYSA-N
MW213.11 g/mol
LogP1.48
Rot. Bonds

About formamide;1,2,3,4,5-pentafluorobenzene

formamide;1,2,3,4,5-pentafluorobenzene (PubChem CID 160585711) has the molecular formula C7H4F5NO and a molecular weight of 213.11 g/mol. Its IUPAC name is formamide;1,2,3,4,5-pentafluorobenzene.

Molecular Properties

Compound Nameformamide;1,2,3,4,5-pentafluorobenzene
PubChem CID160585711
Molecular FormulaC7H4F5NO
Molecular Weight213.11 g/mol
Exact Mass213.02
IUPAC Nameformamide;1,2,3,4,5-pentafluorobenzene
SMILESFc1cc(F)c(F)c(F)c1F.NC=O
InChIInChI=1S/C6HF5.CH3NO/c7-2-1-3(8)5(10)6(11)4(2)9;2-1-3/h1H;1H,(H2,2,3)
InChIKeyRCJBDJDQOIKAEF-UHFFFAOYSA-N
XLogP1.48
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.11
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 formamide;1,2,3,4,5-pentafluorobenzene?
The IUPAC name of formamide;1,2,3,4,5-pentafluorobenzene (CID 160585711) is formamide;1,2,3,4,5-pentafluorobenzene.
What is the SMILES notation for formamide;1,2,3,4,5-pentafluorobenzene?
The canonical SMILES for formamide;1,2,3,4,5-pentafluorobenzene is Fc1cc(F)c(F)c(F)c1F.NC=O.
What is the InChIKey of formamide;1,2,3,4,5-pentafluorobenzene?
The InChIKey is RCJBDJDQOIKAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF5.CH3NO/c7-2-1-3(8)5(10)6(11)4(2)9;2-1-3/h1H;1H,(H2,2,3).
What are the key properties of formamide;1,2,3,4,5-pentafluorobenzene?
formamide;1,2,3,4,5-pentafluorobenzene has a molecular weight of 213.11 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;1,2,3,4,5-pentafluorobenzene is sourced from PubChem (CID 160585711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).