1,1-difluorocyclobutane;methylurea;hydrochloride

C6H13ClF2N2O — CID 175158753

IUPAC1,1-difluorocyclobutane;methylurea;hydrochloride
SMILESCNC(N)=O.Cl.FC1(F)CCC1
InChIInChI=1S/C4H6F2.C2H6N2O.ClH/c5-4(6)2-1-3-4;1-4-2(3)5;/h1-3H2;1H3,(H3,3,4,5);1H
InChIKeyPIPAYXZNBJHZHO-UHFFFAOYSA-N
MW202.63 g/mol
LogP1.51
Rot. Bonds

About 1,1-difluorocyclobutane;methylurea;hydrochloride

1,1-difluorocyclobutane;methylurea;hydrochloride (PubChem CID 175158753) has the molecular formula C6H13ClF2N2O and a molecular weight of 202.63 g/mol. Its IUPAC name is 1,1-difluorocyclobutane;methylurea;hydrochloride.

Molecular Properties

Compound Name1,1-difluorocyclobutane;methylurea;hydrochloride
PubChem CID175158753
Molecular FormulaC6H13ClF2N2O
Molecular Weight202.63 g/mol
Exact Mass202.07
IUPAC Name1,1-difluorocyclobutane;methylurea;hydrochloride
SMILESCNC(N)=O.Cl.FC1(F)CCC1
InChIInChI=1S/C4H6F2.C2H6N2O.ClH/c5-4(6)2-1-3-4;1-4-2(3)5;/h1-3H2;1H3,(H3,3,4,5);1H
InChIKeyPIPAYXZNBJHZHO-UHFFFAOYSA-N
XLogP1.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.63
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluorocyclobutane;methylurea;hydrochloride?
The IUPAC name of 1,1-difluorocyclobutane;methylurea;hydrochloride (CID 175158753) is 1,1-difluorocyclobutane;methylurea;hydrochloride.
What is the SMILES notation for 1,1-difluorocyclobutane;methylurea;hydrochloride?
The canonical SMILES for 1,1-difluorocyclobutane;methylurea;hydrochloride is CNC(N)=O.Cl.FC1(F)CCC1.
What is the InChIKey of 1,1-difluorocyclobutane;methylurea;hydrochloride?
The InChIKey is PIPAYXZNBJHZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2.C2H6N2O.ClH/c5-4(6)2-1-3-4;1-4-2(3)5;/h1-3H2;1H3,(H3,3,4,5);1H.
What are the key properties of 1,1-difluorocyclobutane;methylurea;hydrochloride?
1,1-difluorocyclobutane;methylurea;hydrochloride has a molecular weight of 202.63 g/mol, XLogP of 1.51, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluorocyclobutane;methylurea;hydrochloride is sourced from PubChem (CID 175158753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).