benzene;1,1-difluoroethene;pyrrolidin-2-one

C12H15F2NO — CID 174862990

IUPACbenzene;1,1-difluoroethene;pyrrolidin-2-one
SMILESC=C(F)F.O=C1CCCN1.c1ccccc1
InChIInChI=1S/C6H6.C4H7NO.C2H2F2/c1-2-4-6-5-3-1;6-4-2-1-3-5-4;1-2(3)4/h1-6H;1-3H2,(H,5,6);1H2
InChIKeyDDYKZIDCUIFMMQ-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.98
Rot. Bonds

About benzene;1,1-difluoroethene;pyrrolidin-2-one

benzene;1,1-difluoroethene;pyrrolidin-2-one (PubChem CID 174862990) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is benzene;1,1-difluoroethene;pyrrolidin-2-one.

Molecular Properties

Compound Namebenzene;1,1-difluoroethene;pyrrolidin-2-one
PubChem CID174862990
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Namebenzene;1,1-difluoroethene;pyrrolidin-2-one
SMILESC=C(F)F.O=C1CCCN1.c1ccccc1
InChIInChI=1S/C6H6.C4H7NO.C2H2F2/c1-2-4-6-5-3-1;6-4-2-1-3-5-4;1-2(3)4/h1-6H;1-3H2,(H,5,6);1H2
InChIKeyDDYKZIDCUIFMMQ-UHFFFAOYSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze benzene;1,1-difluoroethene;pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene;cyclohexane;ethane;pyrrolidin-2-one
CID 157259097
2-methylprop-1-ene;pyrrolidin-2-one
CID 174928634
ethene;pyrrolidin-2-one
CID 18949514
ethene;bis(pyrrolidin-2-one)
CID 67822125
sodium;carbonic acid;pyrrolidin-2-one
CID 19352761
astatane;pyrrolidin-2-one
CID 174831438
pyrrolidin-2-one;hydrate
CID 19382566
arsane;pyrrolidin-2-one
CID 174413202
ethane;pyrrolidin-2-one
CID 54451151
magnesium;pyrrolidin-2-one;dibromide
CID 67853208
ethane-1,2-diol;ethene;pyrrolidin-2-one
CID 69133402
azepan-2-one;pyrrolidin-2-one
CID 22023756

Frequently Asked Questions

What is the IUPAC name of benzene;1,1-difluoroethene;pyrrolidin-2-one?
The IUPAC name of benzene;1,1-difluoroethene;pyrrolidin-2-one (CID 174862990) is benzene;1,1-difluoroethene;pyrrolidin-2-one.
What is the SMILES notation for benzene;1,1-difluoroethene;pyrrolidin-2-one?
The canonical SMILES for benzene;1,1-difluoroethene;pyrrolidin-2-one is C=C(F)F.O=C1CCCN1.c1ccccc1.
What is the InChIKey of benzene;1,1-difluoroethene;pyrrolidin-2-one?
The InChIKey is DDYKZIDCUIFMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C4H7NO.C2H2F2/c1-2-4-6-5-3-1;6-4-2-1-3-5-4;1-2(3)4/h1-6H;1-3H2,(H,5,6);1H2.
What are the key properties of benzene;1,1-difluoroethene;pyrrolidin-2-one?
benzene;1,1-difluoroethene;pyrrolidin-2-one has a molecular weight of 227.25 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,1-difluoroethene;pyrrolidin-2-one is sourced from PubChem (CID 174862990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).