benzene;urea;hydrofluoride

C7H11FN2O — CID 162232963

IUPACbenzene;urea;hydrofluoride
SMILESF.NC(N)=O.c1ccccc1
InChIInChI=1S/C6H6.CH4N2O.FH/c1-2-4-6-5-3-1;2-1(3)4;/h1-6H;(H4,2,3,4);1H
InChIKeyTWQRFGUHXAAYIG-UHFFFAOYSA-N
MW158.18 g/mol
LogP0.86
Rot. Bonds

About benzene;urea;hydrofluoride

benzene;urea;hydrofluoride (PubChem CID 162232963) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is benzene;urea;hydrofluoride.

Molecular Properties

Compound Namebenzene;urea;hydrofluoride
PubChem CID162232963
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Namebenzene;urea;hydrofluoride
SMILESF.NC(N)=O.c1ccccc1
InChIInChI=1S/C6H6.CH4N2O.FH/c1-2-4-6-5-3-1;2-1(3)4;/h1-6H;(H4,2,3,4);1H
InChIKeyTWQRFGUHXAAYIG-UHFFFAOYSA-N
XLogP0.86
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of benzene;urea;hydrofluoride?
The IUPAC name of benzene;urea;hydrofluoride (CID 162232963) is benzene;urea;hydrofluoride.
What is the SMILES notation for benzene;urea;hydrofluoride?
The canonical SMILES for benzene;urea;hydrofluoride is F.NC(N)=O.c1ccccc1.
What is the InChIKey of benzene;urea;hydrofluoride?
The InChIKey is TWQRFGUHXAAYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.CH4N2O.FH/c1-2-4-6-5-3-1;2-1(3)4;/h1-6H;(H4,2,3,4);1H.
What are the key properties of benzene;urea;hydrofluoride?
benzene;urea;hydrofluoride has a molecular weight of 158.18 g/mol, XLogP of 0.86, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;urea;hydrofluoride is sourced from PubChem (CID 162232963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).