(3-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)urea

C8H9FN2O — CID 123540131

IUPAC(3-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)urea
SMILESC=C1C=CC(F)=CC1NC(N)=O
InChIInChI=1S/C8H9FN2O/c1-5-2-3-6(9)4-7(5)11-8(10)12/h2-4,7H,1H2,(H3,10,11,12)
InChIKeyXIZBTILGEUNMJM-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.00
Rot. Bonds1

About (3-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)urea

(3-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)urea (PubChem CID 123540131) has the molecular formula C8H9FN2O and a molecular weight of 168.17 g/mol. Its IUPAC name is (3-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)urea.

Molecular Properties

Compound Name(3-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)urea
PubChem CID123540131
Molecular FormulaC8H9FN2O
Molecular Weight168.17 g/mol
Exact Mass168.07
IUPAC Name(3-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)urea
SMILESC=C1C=CC(F)=CC1NC(N)=O
InChIInChI=1S/C8H9FN2O/c1-5-2-3-6(9)4-7(5)11-8(10)12/h2-4,7H,1H2,(H3,10,11,12)
InChIKeyXIZBTILGEUNMJM-UHFFFAOYSA-N
XLogP1.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,6-Cycloheptatrienyl urea
CID 286070
3,4,7,8-Tetrahydroquinazolin-2(1h)-one
CID 68807667
1-Cyclopropyl-3-(6-fluoro-4-iodocyclohexa-2,4-dien-1-yl)urea
CID 68383649
N-[(2R,3E,5E)-6-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]formamide
CID 88935034
N'-(4-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)methanediamine
CID 89473310
(6-Fluoro-3-methylidenehepta-4,6-dien-2-yl)urea
CID 123389312
1-(2-Fluorocyclohexa-2,4-dien-1-yl)-3-heptan-4-ylurea
CID 137427175
[(2Z)-3-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]urea
CID 142108318
(3-Fluoro-6-sulfanylidenecyclohexa-2,4-dien-1-yl)urea
CID 142666848
(6-Fluorocyclohexa-1,5-dien-1-yl)methylurea
CID 144293774
(6-Fluoro-4-methylcyclohepta-1,3,5-trien-1-yl)methylurea
CID 163975649
[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]urea
CID 164902264

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)urea?
The IUPAC name of (3-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)urea (CID 123540131) is (3-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)urea.
What is the SMILES notation for (3-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)urea?
The canonical SMILES for (3-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)urea is C=C1C=CC(F)=CC1NC(N)=O.
What is the InChIKey of (3-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)urea?
The InChIKey is XIZBTILGEUNMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O/c1-5-2-3-6(9)4-7(5)11-8(10)12/h2-4,7H,1H2,(H3,10,11,12).
What are the key properties of (3-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)urea?
(3-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)urea has a molecular weight of 168.17 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)urea is sourced from PubChem (CID 123540131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).