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

C9H13FN2O — CID 123389312

IUPAC(6-fluoro-3-methylidenehepta-4,6-dien-2-yl)urea
SMILESC=C(F)C=CC(=C)C(C)NC(N)=O
InChIInChI=1S/C9H13FN2O/c1-6(4-5-7(2)10)8(3)12-9(11)13/h4-5,8H,1-2H2,3H3,(H3,11,12,13)
InChIKeyRHPZWAPBKZPWCH-UHFFFAOYSA-N
MW184.21 g/mol
LogP1.64
Rot. Bonds4

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

(6-fluoro-3-methylidenehepta-4,6-dien-2-yl)urea (PubChem CID 123389312) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is (6-fluoro-3-methylidenehepta-4,6-dien-2-yl)urea.

Molecular Properties

Compound Name(6-fluoro-3-methylidenehepta-4,6-dien-2-yl)urea
PubChem CID123389312
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name(6-fluoro-3-methylidenehepta-4,6-dien-2-yl)urea
SMILESC=C(F)C=CC(=C)C(C)NC(N)=O
InChIInChI=1S/C9H13FN2O/c1-6(4-5-7(2)10)8(3)12-9(11)13/h4-5,8H,1-2H2,3H3,(H3,11,12,13)
InChIKeyRHPZWAPBKZPWCH-UHFFFAOYSA-N
XLogP1.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2,4,6-Cycloheptatrienyl urea
CID 286070
1-(2-Fluoroethyl)-3-(3-methylcyclopent-2-en-1-yl)urea
CID 25052105
1-[3-(ethylamino)propyl]-3-[(2Z,4E)-4-(trifluoromethyl)hepta-2,4,6-trienyl]urea
CID 87856558
N-[(2R,3E,5E)-6-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]formamide
CID 88935034
4-[(2E,4E,6Z)-1,1,1-trifluoroocta-2,4,6-trien-4-yl]imidazolidin-2-one
CID 88951038
N'-(4-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)methanediamine
CID 89473310
1-(4-Ethyl-7-fluoroocta-4,6-dien-3-yl)-1,3-dimethylurea
CID 123404972
(3-Fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)urea
CID 123540131
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
(6-Fluorocyclohexa-1,5-dien-1-yl)methylurea
CID 144293774
1-[(Z,3E)-3-butylidene-1,1,1-trifluoro-6-methylidenenon-4-en-2-yl]-3-cyclopropylurea
CID 155357019

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-3-methylidenehepta-4,6-dien-2-yl)urea?
The IUPAC name of (6-fluoro-3-methylidenehepta-4,6-dien-2-yl)urea (CID 123389312) is (6-fluoro-3-methylidenehepta-4,6-dien-2-yl)urea.
What is the SMILES notation for (6-fluoro-3-methylidenehepta-4,6-dien-2-yl)urea?
The canonical SMILES for (6-fluoro-3-methylidenehepta-4,6-dien-2-yl)urea is C=C(F)C=CC(=C)C(C)NC(N)=O.
What is the InChIKey of (6-fluoro-3-methylidenehepta-4,6-dien-2-yl)urea?
The InChIKey is RHPZWAPBKZPWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-6(4-5-7(2)10)8(3)12-9(11)13/h4-5,8H,1-2H2,3H3,(H3,11,12,13).
What are the key properties of (6-fluoro-3-methylidenehepta-4,6-dien-2-yl)urea?
(6-fluoro-3-methylidenehepta-4,6-dien-2-yl)urea has a molecular weight of 184.21 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-3-methylidenehepta-4,6-dien-2-yl)urea is sourced from PubChem (CID 123389312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).