1-[(Z)-1-fluorobut-1-en-2-yl]-3-methylurea

C6H11FN2O — CID 167140552

IUPAC1-[(Z)-1-fluorobut-1-en-2-yl]-3-methylurea
SMILESCC/C(=C/F)NC(=O)NC
InChIInChI=1S/C6H11FN2O/c1-3-5(4-7)9-6(10)8-2/h4H,3H2,1-2H3,(H2,8,9,10)/b5-4-
InChIKeyFZGFGFIZPDCHHC-PLNGDYQASA-N
MW146.16 g/mol
LogP1.14
Rot. Bonds2

About 1-[(Z)-1-fluorobut-1-en-2-yl]-3-methylurea

1-[(Z)-1-fluorobut-1-en-2-yl]-3-methylurea (PubChem CID 167140552) has the molecular formula C6H11FN2O and a molecular weight of 146.16 g/mol. Its IUPAC name is 1-[(Z)-1-fluorobut-1-en-2-yl]-3-methylurea.

Molecular Properties

Compound Name1-[(Z)-1-fluorobut-1-en-2-yl]-3-methylurea
PubChem CID167140552
Molecular FormulaC6H11FN2O
Molecular Weight146.16 g/mol
Exact Mass146.09
IUPAC Name1-[(Z)-1-fluorobut-1-en-2-yl]-3-methylurea
SMILESCC/C(=C/F)NC(=O)NC
InChIInChI=1S/C6H11FN2O/c1-3-5(4-7)9-6(10)8-2/h4H,3H2,1-2H3,(H2,8,9,10)/b5-4-
InChIKeyFZGFGFIZPDCHHC-PLNGDYQASA-N
XLogP1.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-[(Z)-1-fluorobut-1-en-2-yl]-3-methylurea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-fluorobut-1-en-2-yl]-3-methylurea?
The IUPAC name of 1-[(Z)-1-fluorobut-1-en-2-yl]-3-methylurea (CID 167140552) is 1-[(Z)-1-fluorobut-1-en-2-yl]-3-methylurea.
What is the SMILES notation for 1-[(Z)-1-fluorobut-1-en-2-yl]-3-methylurea?
The canonical SMILES for 1-[(Z)-1-fluorobut-1-en-2-yl]-3-methylurea is CC/C(=C/F)NC(=O)NC.
What is the InChIKey of 1-[(Z)-1-fluorobut-1-en-2-yl]-3-methylurea?
The InChIKey is FZGFGFIZPDCHHC-PLNGDYQASA-N. The full InChI is InChI=1S/C6H11FN2O/c1-3-5(4-7)9-6(10)8-2/h4H,3H2,1-2H3,(H2,8,9,10)/b5-4-.
What are the key properties of 1-[(Z)-1-fluorobut-1-en-2-yl]-3-methylurea?
1-[(Z)-1-fluorobut-1-en-2-yl]-3-methylurea has a molecular weight of 146.16 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-fluorobut-1-en-2-yl]-3-methylurea is sourced from PubChem (CID 167140552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).