carbamoylurea;fluoroform

C3H6F3N3O2 — CID 174631914

IUPACcarbamoylurea;fluoroform
SMILESFC(F)F.NC(=O)NC(N)=O
InChIInChI=1S/C2H5N3O2.CHF3/c3-1(6)5-2(4)7;2-1(3)4/h(H5,3,4,5,6,7);1H
InChIKeyYVXJKUKXDVKSJV-UHFFFAOYSA-N
MW173.09 g/mol
LogP-0.09
Rot. Bonds

About carbamoylurea;fluoroform

carbamoylurea;fluoroform (PubChem CID 174631914) has the molecular formula C3H6F3N3O2 and a molecular weight of 173.09 g/mol. Its IUPAC name is carbamoylurea;fluoroform.

Molecular Properties

Compound Namecarbamoylurea;fluoroform
PubChem CID174631914
Molecular FormulaC3H6F3N3O2
Molecular Weight173.09 g/mol
Exact Mass173.04
IUPAC Namecarbamoylurea;fluoroform
SMILESFC(F)F.NC(=O)NC(N)=O
InChIInChI=1S/C2H5N3O2.CHF3/c3-1(6)5-2(4)7;2-1(3)4/h(H5,3,4,5,6,7);1H
InChIKeyYVXJKUKXDVKSJV-UHFFFAOYSA-N
XLogP-0.09
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.09
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of carbamoylurea;fluoroform?
The IUPAC name of carbamoylurea;fluoroform (CID 174631914) is carbamoylurea;fluoroform.
What is the SMILES notation for carbamoylurea;fluoroform?
The canonical SMILES for carbamoylurea;fluoroform is FC(F)F.NC(=O)NC(N)=O.
What is the InChIKey of carbamoylurea;fluoroform?
The InChIKey is YVXJKUKXDVKSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N3O2.CHF3/c3-1(6)5-2(4)7;2-1(3)4/h(H5,3,4,5,6,7);1H.
What are the key properties of carbamoylurea;fluoroform?
carbamoylurea;fluoroform has a molecular weight of 173.09 g/mol, XLogP of -0.09, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoylurea;fluoroform is sourced from PubChem (CID 174631914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).