6-fluorocyclohexa-1,5-diene-1-carboximidamide

C7H9FN2 — CID 18759979

IUPAC6-fluorocyclohexa-1,5-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1=CCCC=C1F
InChIInChI=1S/C7H9FN2/c8-6-4-2-1-3-5(6)7(9)10/h3-4H,1-2H2,(H3,9,10)
InChIKeyDUVIVCAMVSCQKL-UHFFFAOYSA-N
MW140.16 g/mol
LogP1.50
Rot. Bonds1

About 6-fluorocyclohexa-1,5-diene-1-carboximidamide

6-fluorocyclohexa-1,5-diene-1-carboximidamide (PubChem CID 18759979) has the molecular formula C7H9FN2 and a molecular weight of 140.16 g/mol. Its IUPAC name is 6-fluorocyclohexa-1,5-diene-1-carboximidamide.

Molecular Properties

Compound Name6-fluorocyclohexa-1,5-diene-1-carboximidamide
PubChem CID18759979
Molecular FormulaC7H9FN2
Molecular Weight140.16 g/mol
Exact Mass140.07
IUPAC Name6-fluorocyclohexa-1,5-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1=CCCC=C1F
InChIInChI=1S/C7H9FN2/c8-6-4-2-1-3-5(6)7(9)10/h3-4H,1-2H2,(H3,9,10)
InChIKeyDUVIVCAMVSCQKL-UHFFFAOYSA-N
XLogP1.50
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Cyclohexa-1,5-diene-1-carboximidamide
CID 17881718
(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienimidamide
CID 91021348
(2Z)-2-ethylidene-3-fluoropent-3-enimidamide
CID 123530189
3-(Trifluoromethyl)cyclohexa-1,3-diene-1-carboximidamide
CID 123658529
(2E)-2-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide
CID 135254439
(2Z,3Z)-2-(1-fluoroethylidene)-4-methylhexa-3,5-dienimidamide
CID 142166721
2,3-Difluoro-4,4-dimethylcyclohexa-1,5-diene-1-carboximidamide
CID 145092953
[Amino(cyclohexa-1,3,4-trien-1-yl)methylidene]azanium
CID 132595472
4-Methylidenecyclohexa-1,5-diene-1-carboximidamide
CID 17905983
(3Z)-2-methylidenehexa-3,5-dienimidamide
CID 152860401
5-Methylcyclohexa-1,5-diene-1-carboximidamide
CID 164033629
Cyclohexa-1,3,4-triene-1-carboximidamide
CID 132595473

Frequently Asked Questions

What is the IUPAC name of 6-fluorocyclohexa-1,5-diene-1-carboximidamide?
The IUPAC name of 6-fluorocyclohexa-1,5-diene-1-carboximidamide (CID 18759979) is 6-fluorocyclohexa-1,5-diene-1-carboximidamide.
What is the SMILES notation for 6-fluorocyclohexa-1,5-diene-1-carboximidamide?
The canonical SMILES for 6-fluorocyclohexa-1,5-diene-1-carboximidamide is [H]/N=C(\N)C1=CCCC=C1F.
What is the InChIKey of 6-fluorocyclohexa-1,5-diene-1-carboximidamide?
The InChIKey is DUVIVCAMVSCQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2/c8-6-4-2-1-3-5(6)7(9)10/h3-4H,1-2H2,(H3,9,10).
What are the key properties of 6-fluorocyclohexa-1,5-diene-1-carboximidamide?
6-fluorocyclohexa-1,5-diene-1-carboximidamide has a molecular weight of 140.16 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorocyclohexa-1,5-diene-1-carboximidamide is sourced from PubChem (CID 18759979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).